365455 <common-name>(2r)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid</common-name> <description>(2r)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid is a chemical compound with the formula C9H16N2O2S. It has an average molecular weight of 216.30 g/mol.</description> <cas>105099-12-5</cas> <pubchem-id>3064591</pubchem-id> <chemical-formula>C9H16N2O2S</chemical-formula> <weight>216.3</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">2026-09-01T16:03:00Z</created-at> <updated-at type="dateTime">2026-09-01T16:03:00Z</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>CN1CCCCC1=NC(CS)C(=O)O</moldb-smiles> <moldb-formula>C9H16N2O2S</moldb-formula> <moldb-inchi>InChI=1S/C9H16N2O2S/c1-11-5-3-2-4-8(11)10-7(6-14)9(12)13/h7,14H,2-6H2,1H3,(H,12,13)/t7-/m0/s1</moldb-inchi> <moldb-inchikey>FMIMPBWKZHVTMJ-ZETCQYMHSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">216.0932489</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</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>CHEM361348</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>(2r)-2-[(1-methylpiperidin-2-ylidene)amino]-3-sulfanylpropanoic acid</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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0315409</sync-id> <structure-inchikey>FMIMPBWKZHVTMJ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000800800000000000000000000000000000000040000000000000000000200400000000000000004000000000000000000000000000000000000000000000080000000000000000020000000000000000004400000000000000000010000000000000000000000100000020100000000000000000000000800000040000000000000000000004008000000000000000000000400000000000000000000000000000040080000000000080000001000008000000000000000000000000000000000000000000000000000040000000000200000080000000000000000000800000000010000000400000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`�������(�������`�������`�������`�������`�������(�������(�������`�������`�������`�������(�������(�������h���������������������������(����� � ������(�� �� B���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T06:01:31Z</structure-indexed-at> </compound>