N-methylmethanesulfonamide

• ChemBase ID: 69502
• Molecular Formular: C2H7NO2S
• Molecular Mass: 109.14748
• Monoisotopic Mass: 109.01974947
• SMILES: CS(=O)(=O)NC
• Canonical SMILES: CNS(=O)(=O)C
• InChI: InChI=1S/C2H7NO2S/c1-3-6(2,4)5/h3H,1-2H3
• InChIKey: UHNHTTIUNATJKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylmethanesulfonamide
• IUPAC Traditional name: N-methylmethanesulfonamide
• Synonyms: N-Methylmethane sulfonamide; N-Methyl MethanesulfonaMide; N-methylmethanesulfonamide

Database IDs

• CAS Number: 1184-85-6
• MDL Number: MFCD00776277
• PubChem SID: 162035228
• PubChem CID: 97632

CALCULATED PROPERTIES

• Acid pKa: 13.107097
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3115735
• LogD (pH = 7.4): -1.3115742
• Log P: -1.3115735
• Molar Refractivity: 22.9636 cm^3
• Polarizability: 9.828679 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.868

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%