(3-methyloxetan-3-yl)methanesulfonamide

• ChemBase ID: 274496
• Molecular Formular: C5H11NO3S
• Molecular Mass: 165.21074
• Monoisotopic Mass: 165.04596422
• SMILES: S(=O)(=O)(CC1(COC1)C)N
• Canonical SMILES: CC1(COC1)CS(=O)(=O)N
• InChI: InChI=1S/C5H11NO3S/c1-5(2-9-3-5)4-10(6,7)8/h2-4H2,1H3,(H2,6,7,8)
• InChIKey: FGWZEZPEDNBZCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyloxetan-3-yl)methanesulfonamide
• IUPAC Traditional name: (3-methyloxetan-3-yl)methanesulfonamide
• Synonyms: (3-methyloxetan-3-yl)methanesulfonamide

Database IDs

• MDL Number: MFCD18838842
• PubChem SID: 164330406
• PubChem CID: 54593198

CALCULATED PROPERTIES

• Acid pKa: 10.779417
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.1605971
• LogD (pH = 7.4): -1.1607556
• Log P: -1.160595
• Molar Refractivity: 36.3723 cm^3
• Polarizability: 15.332271 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.606

Product Information

• Purity: 95%