2-methyloxolane-3-sulfonamide

• ChemBase ID: 243411
• Molecular Formular: C5H11NO3S
• Molecular Mass: 165.21074
• Monoisotopic Mass: 165.04596422
• SMILES: S(=O)(=O)(C1C(OCC1)C)N
• Canonical SMILES: CC1OCCC1S(=O)(=O)N
• InChI: InChI=1S/C5H11NO3S/c1-4-5(2-3-9-4)10(6,7)8/h4-5H,2-3H2,1H3,(H2,6,7,8)
• InChIKey: HFGBHUBMXOUZRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyloxolane-3-sulfonamide
• IUPAC Traditional name: 2-methyloxolane-3-sulfonamide
• Synonyms: 2-methyloxolane-3-sulfonamide

Database IDs

• MDL Number: MFCD22578667
• PubChem SID: 164299321
• PubChem CID: 71757248

CALCULATED PROPERTIES

• Acid pKa: 10.55102
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9130731
• LogD (pH = 7.4): -0.91334134
• Log P: -0.9130697
• Molar Refractivity: 36.3434 cm^3
• Polarizability: 15.332271 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.824

Product Information

• Purity: 95%