2-methanesulfonylacetamide

• ChemBase ID: 110874
• Molecular Formular: C3H7NO3S
• Molecular Mass: 137.15758
• Monoisotopic Mass: 137.01466409
• SMILES: CS(=O)(=O)CC(=O)N
• Canonical SMILES: NC(=O)CS(=O)(=O)C
• InChI: InChI=1S/C3H7NO3S/c1-8(6,7)2-3(4)5/h2H2,1H3,(H2,4,5)
• InChIKey: ZBLUAVADFAWYLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonylacetamide
• IUPAC Traditional name: 2-methanesulfonylacetamide
• Synonyms: METHYLSULFONYLACETAMIDE

Database IDs

• PubChem SID: 162106464
• PubChem CID: 105389

CALCULATED PROPERTIES

• Acid pKa: 8.6730995
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1736543
• LogD (pH = 7.4): -2.1958926
• Log P: -2.1733634
• Molar Refractivity: 28.1908 cm^3
• Polarizability: 11.81304 Å^3
• Polar Surface Area: 77.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216743

MP Biomedicals Rare Chemical collection