N-methylbutane-1-sulfonamide

• ChemBase ID: 284094
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(NC)CCCC
• Canonical SMILES: CCCCS(=O)(=O)NC
• InChI: InChI=1S/C5H13NO2S/c1-3-4-5-9(7,8)6-2/h6H,3-5H2,1-2H3
• InChIKey: CJUPBDDCEQLSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylbutane-1-sulfonamide
• IUPAC Traditional name: N-methylbutane-1-sulfonamide
• Synonyms: N-methylbutane-1-sulfonamide

Database IDs

• MDL Number: MFCD00465165
• PubChem SID: 180669625
• PubChem CID: 13343581

CALCULATED PROPERTIES

• Acid pKa: 11.8755245
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16451462
• LogD (pH = 7.4): 0.1645019
• Log P: 0.16451478
• Molar Refractivity: 36.961 cm^3
• Polarizability: 15.289347 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.719

Product Information

• Purity: 95%