N-(piperidin-4-yl)cyclopropanesulfonamide

• ChemBase ID: 118509
• Molecular Formular: C8H16N2O2S
• Molecular Mass: 204.28984
• Monoisotopic Mass: 204.09324876
• SMILES: S(=O)(=O)(C1CC1)NC1CCNCC1
• Canonical SMILES: O=S(=O)(C1CC1)NC1CCNCC1
• InChI: InChI=1S/C8H16N2O2S/c11-13(12,8-1-2-8)10-7-3-5-9-6-4-7/h7-10H,1-6H2
• InChIKey: WLAOAQMYBLONJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)cyclopropanesulfonamide
• IUPAC Traditional name: N-(piperidin-4-yl)cyclopropanesulfonamide
• Synonyms: N-piperidin-4-ylcyclopropanesulfonamide

Database IDs

• MDL Number: MFCD16653437
• PubChem SID: 162102814
• PubChem CID: 45496796

CALCULATED PROPERTIES

• Acid pKa: 11.546923
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.117561
• LogD (pH = 7.4): -3.4255846
• Log P: -1.0964781
• Molar Refractivity: 50.5788 cm^3
• Polarizability: 20.880922 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.262

Product Information

• Purity: 95+%