2,2-dimethylpropane-1-sulfonamide

• ChemBase ID: 274100
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(CC(C)(C)C)N
• Canonical SMILES: CC(CS(=O)(=O)N)(C)C
• InChI: InChI=1S/C5H13NO2S/c1-5(2,3)4-9(6,7)8/h4H2,1-3H3,(H2,6,7,8)
• InChIKey: VQXWDAAONGOPPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethylpropane-1-sulfonamide
• IUPAC Traditional name: 2,2-dimethylpropane-1-sulfonamide
• Synonyms: 2,2-dimethylpropane-1-sulfonamide

Database IDs

• MDL Number: MFCD15526803
• PubChem SID: 164330010
• PubChem CID: 18348400

CALCULATED PROPERTIES

• Acid pKa: 11.277129
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.23924309
• LogD (pH = 7.4): 0.23919268
• Log P: 0.23924373
• Molar Refractivity: 36.333 cm^3
• Polarizability: 15.289347 Å^3
• Polar Surface Area: 60.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 0.362

Product Information

• Purity: 95%