oxolan-2-ylmethanesulfonamide

• ChemBase ID: 249052
• Molecular Formular: C5H11NO3S
• Molecular Mass: 165.21074
• Monoisotopic Mass: 165.04596422
• SMILES: S(=O)(=O)(CC1OCCC1)N
• Canonical SMILES: NS(=O)(=O)CC1CCCO1
• InChI: InChI=1S/C5H11NO3S/c6-10(7,8)4-5-2-1-3-9-5/h5H,1-4H2,(H2,6,7,8)
• InChIKey: GNNXQTATJRFVPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-2-ylmethanesulfonamide
• IUPAC Traditional name: oxolan-2-ylmethanesulfonamide
• Synonyms: oxolan-2-ylmethanesulfonamide

Database IDs

• MDL Number: MFCD12783428
• PubChem SID: 164304962
• PubChem CID: 61064069

CALCULATED PROPERTIES

• Acid pKa: 10.412617
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.964476
• LogD (pH = 7.4): -0.9648448
• Log P: -0.9644713
• Molar Refractivity: 36.4454 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): -0.724

Product Information

• Purity: 95%