2-hydroxy-N,N-dimethylethane-1-sulfonamide

• ChemBase ID: 293738
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: C(CO)S(=O)(=O)N(C)C
• Canonical SMILES: OCCS(=O)(=O)N(C)C
• InChI: InChI=1S/C4H11NO3S/c1-5(2)9(7,8)4-3-6/h6H,3-4H2,1-2H3
• InChIKey: XQDLBIGTOVHVLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N,N-dimethylethane-1-sulfonamide
• IUPAC Traditional name: 2-hydroxy-N,N-dimethylethanesulfonamide
• Synonyms: 2-Hydroxyethanesulfonic acid dimethylamide

Database IDs

• CAS Number: 89747-69-3
• MDL Number: MFCD09835391
• PubChem SID: 180679269
• PubChem CID: 24820513

CALCULATED PROPERTIES

• Acid pKa: 14.850763
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6258101
• LogD (pH = 7.4): -1.6258101
• Log P: -1.6258101
• Molar Refractivity: 34.2764 cm^3
• Polarizability: 14.150684 Å^3
• Polar Surface Area: 57.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%