cyclopropylmethanesulfonamide

• ChemBase ID: 274243
• Molecular Formular: C4H9NO2S
• Molecular Mass: 135.18476
• Monoisotopic Mass: 135.03539953
• SMILES: S(=O)(=O)(CC1CC1)N
• Canonical SMILES: NS(=O)(=O)CC1CC1
• InChI: InChI=1S/C4H9NO2S/c5-8(6,7)3-4-1-2-4/h4H,1-3H2,(H2,5,6,7)
• InChIKey: GTPINKYWKTZDBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropylmethanesulfonamide
• IUPAC Traditional name: cyclopropylmethanesulfonamide
• Synonyms: cyclopropylmethanesulfonamide

Database IDs

• MDL Number: MFCD11847580
• PubChem SID: 164330153
• PubChem CID: 22149151

CALCULATED PROPERTIES

• Acid pKa: 11.56477
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60248333
• LogD (pH = 7.4): -0.6025094
• Log P: -0.60248303
• Molar Refractivity: 30.1327 cm^3
• Polarizability: 12.757984 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46 - 48°C
• Hydrophobicity(logP): -0.521

Product Information

• Purity: 95%