6-(cyclohexanesulfonyl)pyridin-3-amine

• ChemBase ID: 120911
• Molecular Formular: C11H16N2O2S
• Molecular Mass: 240.32194
• Monoisotopic Mass: 240.09324876
• SMILES: S(=O)(=O)(c1ncc(N)cc1)C1CCCCC1
• Canonical SMILES: Nc1ccc(nc1)S(=O)(=O)C1CCCCC1
• InChI: InChI=1S/C11H16N2O2S/c12-9-6-7-11(13-8-9)16(14,15)10-4-2-1-3-5-10/h6-8,10H,1-5,12H2
• InChIKey: CJUBTQYBOIZFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(cyclohexanesulfonyl)pyridin-3-amine
• IUPAC Traditional name: 6-(cyclohexanesulfonyl)pyridin-3-amine
• Synonyms: 6-(cyclohexylsulfonyl)pyridin-3-amine

Database IDs

• PubChem SID: 162215264
• PubChem CID: 20387355

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4650625
• LogD (pH = 7.4): 1.4650625
• Log P: 1.4650625
• Molar Refractivity: 63.7668 cm^3
• Polarizability: 25.053217 Å^3
• Polar Surface Area: 73.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true