oxetane-3-sulfonamide

• ChemBase ID: 274497
• Molecular Formular: C3H7NO3S
• Molecular Mass: 137.15758
• Monoisotopic Mass: 137.01466409
• SMILES: S(=O)(=O)(C1COC1)N
• Canonical SMILES: NS(=O)(=O)C1COC1
• InChI: InChI=1S/C3H7NO3S/c4-8(5,6)3-1-7-2-3/h3H,1-2H2,(H2,4,5,6)
• InChIKey: UMRKNFYJEVIMLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxetane-3-sulfonamide
• IUPAC Traditional name: oxetane-3-sulfonamide
• Synonyms: oxetane-3-sulfonamide

Database IDs

• MDL Number: MFCD18838843
• PubChem SID: 164330407
• PubChem CID: 54593199

CALCULATED PROPERTIES

• Acid pKa: 10.40647
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3896092
• LogD (pH = 7.4): -1.3899833
• Log P: -1.3896044
• Molar Refractivity: 27.0592 cm^3
• Polarizability: 11.716027 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.085

Product Information

• Purity: 95%