[2-(ethanesulfonyl)ethyl](methyl)amine

• ChemBase ID: 309284
• Molecular Formular: C5H13NO2S
• Molecular Mass: 151.22722
• Monoisotopic Mass: 151.06669966
• SMILES: S(=O)(=O)(CCNC)CC
• Canonical SMILES: CNCCS(=O)(=O)CC
• InChI: InChI=1S/C5H13NO2S/c1-3-9(7,8)5-4-6-2/h6H,3-5H2,1-2H3
• InChIKey: WJOGIHFXCMFNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(ethanesulfonyl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(ethanesulfonyl)ethyl](methyl)amine
• Synonyms: 2-(ethylsulfonyl)-N-methylethanamine

Database IDs

• CAS Number: 128696-32-2
• MDL Number: MFCD03167605

CALCULATED PROPERTIES

• Log P: -1.0041888
• Molar Refractivity: 37.4264 cm^3
• Polarizability: 15.662954 Å^3
• Polar Surface Area: 46.17 Å^2
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8801625
• LogD (pH = 7.4): -2.2453842