(1-methanesulfonylpropan-2-yl)(methyl)amine

• ChemBase ID: 273661
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(CC(NC)C)C
• Canonical SMILES: CNC(CS(=O)(=O)C)C
• InChI: InChI=1S/C5H13NO2S/c1-5(6-2)4-9(3,7)8/h5-6H,4H2,1-3H3
• InChIKey: CLOKUBNHFJZPQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methanesulfonylpropan-2-yl)(methyl)amine
• IUPAC Traditional name: (1-methanesulfonylpropan-2-yl)(methyl)amine
• Synonyms: (1-methanesulfonylpropan-2-yl)(methyl)amine

Database IDs

• MDL Number: MFCD16860227
• PubChem SID: 164329571
• PubChem CID: 54592895

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.00954
• LogD (pH = 7.4): -2.4007535
• Log P: -1.0966109
• Molar Refractivity: 37.1796 cm^3
• Polarizability: 15.662954 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.028

Product Information

• Purity: 95%