(2-methanesulfonylethyl)(methyl)amine

• ChemBase ID: 76200
• Molecular Formular: C4H11NO2S
• Molecular Mass: 137.20064
• Monoisotopic Mass: 137.0510496
• SMILES: S(=O)(=O)(CCNC)C
• Canonical SMILES: CNCCS(=O)(=O)C
• InChI: InChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3
• InChIKey: GCPNZCTVVWEQKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methanesulfonylethyl)(methyl)amine
• IUPAC Traditional name: (2-methanesulfonylethyl)(methyl)amine
• Synonyms: 1-(Methylamino)-2-(methylsulphonyl)ethane; Methyl 2-(methylamino)ethyl sulphone; N-Methyl-2-(methylsulphonyl)ethylamine; (2-methanesulfonylethyl)(methyl)amine

Database IDs

• CAS Number: 202198-18-3
• MDL Number: MFCD02089403
• PubChem SID: 162041108
• PubChem CID: 3856040

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3894234
• LogD (pH = 7.4): -2.7548144
• Log P: -1.513186
• Molar Refractivity: 32.7608 cm^3
• Polarizability: 13.832649 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.337

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%