(2-methanesulfonyl-2-methylpropyl)(methyl)amine

• ChemBase ID: 244923
• Molecular Formular: C6H15NO2S
• Molecular Mass: 165.2538
• Monoisotopic Mass: 165.08234973
• SMILES: S(=O)(=O)(C(CNC)(C)C)C
• Canonical SMILES: CNCC(S(=O)(=O)C)(C)C
• InChI: InChI=1S/C6H15NO2S/c1-6(2,5-7-3)10(4,8)9/h7H,5H2,1-4H3
• InChIKey: LSLLJIVCOBRODQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methanesulfonyl-2-methylpropyl)(methyl)amine
• IUPAC Traditional name: (2-methanesulfonyl-2-methylpropyl)(methyl)amine
• Synonyms: (2-methanesulfonyl-2-methylpropyl)(methyl)amine

Database IDs

• MDL Number: MFCD16809864
• PubChem SID: 164300833
• PubChem CID: 62595290

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5519164
• LogD (pH = 7.4): -2.0838487
• Log P: -0.5116558
• Molar Refractivity: 42.0654 cm^3
• Polarizability: 17.496235 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.629

Product Information

• Purity: 95%