N-methyl-N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride

• ChemBase ID: 242964
• Molecular Formular: C5H15ClN2O2S
• Molecular Mass: 202.7028
• Monoisotopic Mass: 202.05427641
• SMILES: S(=O)(=O)(N(CCNC)C)C.Cl
• Canonical SMILES: CNCCN(S(=O)(=O)C)C.Cl
• InChI: InChI=1S/C5H14N2O2S.ClH/c1-6-4-5-7(2)10(3,8)9;/h6H,4-5H2,1-3H3;1H
• InChIKey: FUCGIAYBJKFFFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride
• IUPAC Traditional name: N-methyl-N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride
• Synonyms: N-methyl-N-[2-(methylamino)ethyl]methanesulfonamide hydrochloride

Database IDs

• MDL Number: MFCD22578558
• PubChem SID: 164298874
• PubChem CID: 71757129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.5036283
• LogD (pH = 7.4): -3.0535235
• Log P: -1.4523008
• Molar Refractivity: 40.5847 cm^3
• Polarizability: 16.818632 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -0.485

Product Information

• Purity: 95%