Record Information
Version1.0
Creation Date2016-05-25 23:22:23 UTC
Update Date2016-11-09 01:18:21 UTC
Accession NumberCHEM026937
Identification
Common NamePotassium cyclamate
ClassSmall Molecule
DescriptionNot Available
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Potassium N-cyclohexylsulfamic acidGenerator
Potassium N-cyclohexylsulphamateGenerator
Potassium N-cyclohexylsulphamic acidGenerator
Potassium cyclamic acidGenerator
Chemical FormulaC6H12KNO3S
Average Molecular Mass217.328 g/mol
Monoisotopic Mass217.017 g/mol
CAS Registry Number7758-04-5
IUPAC Namepotassium N-cyclohexylsulfamate
Traditional Namepotassium cyclohexylsulfamate
SMILES[K+].[O-]S(=O)(=O)NC1CCCCC1
InChI IdentifierInChI=1S/C6H13NO3S.K/c8-11(9,10)7-6-4-2-1-3-5-6;/h6-7H,1-5H2,(H,8,9,10);/q;+1/p-1
InChI KeyPALPTWOXTUVPKA-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of organic compounds known as cyclamates. Cyclamates are compounds containing a cyclohexylsulfamic acid moiety.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassSulfamic acid derivatives
Sub ClassCyclamates
Direct ParentCyclamates
Alternative Parents
Substituents
  • Cyclamic_acid_derivative
  • Sulfuric acid monoamide
  • Organic sulfuric acid or derivatives
  • Organic alkali metal salt
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic potassium salt
  • Organic salt
  • Organonitrogen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility16.6 g/LALOGPS
logP-0.09ALOGPS
logP0.61ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)-0.83ChemAxon
pKa (Strongest Basic)-9.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area69.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity40.1 m³·mol⁻¹ChemAxon
Polarizability17.37 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0080-3910000000-6d97972a9534d2e2da64Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-008i-7900000000-0a5bd65839336991ea83Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00ec-9300000000-9b6dbcc5f4ba11be8958Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0159-6090000000-fc4c683f4792b6c9243dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-6090000000-4623bbf6b631c79b240eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-9000000000-1cccade8a1902c939656Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB0303276
FooDB IDFDB010123
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID22855
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available