oxolan-3-ylmethanesulfonamide

• ChemBase ID: 244646
• Molecular Formular: C5H11NO3S
• Molecular Mass: 165.21074
• Monoisotopic Mass: 165.04596422
• SMILES: S(=O)(=O)(CC1COCC1)N
• Canonical SMILES: NS(=O)(=O)CC1COCC1
• InChI: InChI=1S/C5H11NO3S/c6-10(7,8)4-5-1-2-9-3-5/h5H,1-4H2,(H2,6,7,8)
• InChIKey: NFOUZRZWVDPJJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-3-ylmethanesulfonamide
• IUPAC Traditional name: oxolan-3-ylmethanesulfonamide
• Synonyms: oxolan-3-ylmethanesulfonamide

Database IDs

• MDL Number: MFCD14691771
• PubChem SID: 164300556
• PubChem CID: 61554768

CALCULATED PROPERTIES

• Acid pKa: 10.912564
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3642869
• LogD (pH = 7.4): -1.3644036
• Log P: -1.3642853
• Molar Refractivity: 36.7844 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): -1.672

Product Information

• Purity: 95%