3-methoxypropane-1-sulfonamide

• ChemBase ID: 273305
• Molecular Formular: C4H11NO3S
• Molecular Mass: 153.20004
• Monoisotopic Mass: 153.04596422
• SMILES: S(=O)(=O)(N)CCCOC
• Canonical SMILES: COCCCS(=O)(=O)N
• InChI: InChI=1S/C4H11NO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)
• InChIKey: WCEYYHIMDPOBRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypropane-1-sulfonamide
• IUPAC Traditional name: 3-methoxypropane-1-sulfonamide
• Synonyms: 3-methoxypropane-1-sulfonamide

Database IDs

• MDL Number: MFCD12783422
• PubChem SID: 164329215
• PubChem CID: 22737399

CALCULATED PROPERTIES

• Acid pKa: 11.536451
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3700764
• LogD (pH = 7.4): -1.3701042
• Log P: -1.3700761
• Molar Refractivity: 34.0996 cm^3
• Polarizability: 14.217229 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 41 - 43°C
• Hydrophobicity(logP): -0.869

Product Information

• Purity: 95%