<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">308342</id>
  <title nil="true"/>
  <common-name>8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one</common-name>
  <description>8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one belongs to the azaspirodecane derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C17H22N2O4S and an average molecular weight of 350.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>215977</pubchem-id>
  <chemical-formula>C17H22N2O4S</chemical-formula>
  <weight>350.4</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-29T02:44:29Z</created-at>
  <updated-at type="dateTime">2026-08-29T02:44:29Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=CC=CC2=C1OC(CO2)CN3CCC4(CC3)NC(=O)CS4</moldb-smiles>
  <moldb-formula>C17H22N2O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H22N2O4S/c1-21-13-3-2-4-14-16(13)23-12(10-22-14)9-19-7-5-17(6-8-19)18-15(20)11-24-17/h2-4,12H,5-11H2,1H3,(H,18,20)</moldb-inchi>
  <moldb-inchikey>ROJLMDIDSAMJGD-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">350.1300284</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM304235</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>8-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Azaspirodecane derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0259367</sync-id>
  <structure-inchikey>ROJLMDIDSAMJGD-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000800000000000000000000000000000000000000000400000000000000020000000001000000000000000000000400000000000000000000000000000000000000000000000000020808010000100040000000002000000000000000000000040001400000800000800020100000000000000000000100001000049000c0080000020002000000020000000000100080000000000000080020000000000000000004008010100200000000000000000c000080000000080000000010020000000000000000000000000000000000000000200000000010000002000000000000040000000400010000000000020000000000002000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(������@(������@h�������@h�������@h�������@(������@(�������(�������`�������`�������(�������`������� ������`�������`������� ������`�������`�������h��������(�������(�������`������� ���������� ��h���h���h���h���h��� �	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:16:16Z</structure-indexed-at>
</compound>
