N-methylpropane-2-sulfonamide

• ChemBase ID: 286123
• Molecular Formular: C4H11NO2S
• Molecular Mass: 137.20064
• Monoisotopic Mass: 137.0510496
• SMILES: S(=O)(=O)(NC)C(C)C
• Canonical SMILES: CNS(=O)(=O)C(C)C
• InChI: InChI=1S/C4H11NO2S/c1-4(2)8(6,7)5-3/h4-5H,1-3H3
• InChIKey: SLZVNMYAQGDTPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylpropane-2-sulfonamide
• IUPAC Traditional name: N-methylpropane-2-sulfonamide
• Synonyms: N-methylpropane-2-sulfonamide

Database IDs

• MDL Number: MFCD12799059
• PubChem SID: 180671654
• PubChem CID: 20487245

CALCULATED PROPERTIES

• Acid pKa: 12.689324
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23381206
• LogD (pH = 7.4): -0.23381402
• Log P: -0.23381203
• Molar Refractivity: 32.3786 cm^3
• Polarizability: 13.4633255 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.03

Product Information

• Purity: 95%