morpholine-4-sulfonamide

• ChemBase ID: 281340
• Molecular Formular: C4H10N2O3S
• Molecular Mass: 166.1988
• Monoisotopic Mass: 166.04121319
• SMILES: S(=O)(=O)(N1CCOCC1)N
• Canonical SMILES: NS(=O)(=O)N1CCOCC1
• InChI: InChI=1S/C4H10N2O3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2,(H2,5,7,8)
• InChIKey: WZWQJRQCWCFUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: morpholine-4-sulfonamide
• IUPAC Traditional name: morpholine-4-sulfonamide
• Synonyms: morpholine-4-sulfonamide

Database IDs

• CAS Number: 25999-04-6
• MDL Number: MFCD11171673
• PubChem SID: 180666871
• PubChem CID: 276739

CALCULATED PROPERTIES

• Acid pKa: 11.353
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.7624527
• LogD (pH = 7.4): -1.7624952
• Log P: -1.7624522
• Molar Refractivity: 35.7095 cm^3
• Polarizability: 15.044784 Å^3
• Polar Surface Area: 72.63 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): -0.39

Product Information

• Purity: 95%; 98%