(3-methanesulfonylpropyl)(methyl)amine

• ChemBase ID: 243923
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(CCCNC)C
• Canonical SMILES: CNCCCS(=O)(=O)C
• InChI: InChI=1S/C5H13NO2S/c1-6-4-3-5-9(2,7)8/h6H,3-5H2,1-2H3
• InChIKey: HWICGHDJCTXYBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methanesulfonylpropyl)(methyl)amine
• IUPAC Traditional name: (3-methanesulfonylpropyl)(methyl)amine
• Synonyms: (3-methanesulfonylpropyl)(methyl)amine

Database IDs

• MDL Number: MFCD12778857
• PubChem SID: 164299833
• PubChem CID: 22277805

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.600496
• LogD (pH = 7.4): -3.390842
• Log P: -1.4532262
• Molar Refractivity: 38.0398 cm^3
• Polarizability: 15.662954 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.125

Product Information

• Purity: 95%