N-(piperidin-4-yl)methanesulfonamide

• ChemBase ID: 252516
• Molecular Formular: C6H14N2O2S
• Molecular Mass: 178.25256
• Monoisotopic Mass: 178.0775987
• SMILES: S(=O)(=O)(NC1CCNCC1)C
• Canonical SMILES: CS(=O)(=O)NC1CCNCC1
• InChI: InChI=1S/C6H14N2O2S/c1-11(9,10)8-6-2-4-7-5-3-6/h6-8H,2-5H2,1H3
• InChIKey: NAEICDPYHCEZMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)methanesulfonamide
• IUPAC Traditional name: N-(piperidin-4-yl)methanesulfonamide
• Synonyms: N-piperidin-4-ylmethanesulfonamide

Database IDs

• CAS Number: 70724-72-0
• MDL Number: MFCD08444369
• PubChem SID: 164308426
• PubChem CID: 16227261

CALCULATED PROPERTIES

• Acid pKa: 11.614089
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.8875413
• LogD (pH = 7.4): -4.1961136
• Log P: -1.8494536
• Molar Refractivity: 43.12 cm^3
• Polarizability: 17.934917 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 143 - 145°C
• Hydrophobicity(logP): -1.256

Product Information

• Purity: 95%