1-methoxypropane-2-sulfonamide

• ChemBase ID: 274447
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: S(=O)(=O)(C(COC)C)N
• Canonical SMILES: COCC(S(=O)(=O)N)C
• InChI: InChI=1S/C4H11NO3S/c1-4(3-8-2)9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
• InChIKey: HZVYKFOIYCUEGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methoxypropane-2-sulfonamide
• IUPAC Traditional name: 1-methoxypropane-2-sulfonamide
• Synonyms: 1-methoxypropane-2-sulfonamide

Database IDs

• MDL Number: MFCD16788632
• PubChem SID: 164330357
• PubChem CID: 54593170

CALCULATED PROPERTIES

• Acid pKa: 11.203119
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.86127234
• LogD (pH = 7.4): -0.8613321
• Log P: -0.86127156
• Molar Refractivity: 33.7768 cm^3
• Polarizability: 14.217229 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.838

Product Information

• Purity: 95%