N,N-dimethyl-2-[(pyridin-2-ylmethyl)amino]ethane-1-sulfonamide dihydrochloride

• ChemBase ID: 55061
• Molecular Formular: C10H19Cl2N3O2S
• Molecular Mass: 316.24776
• Monoisotopic Mass: 315.05750322
• SMILES: n1ccccc1CNCCS(=O)(=O)N(C)C.Cl.Cl
• Canonical SMILES: CN(S(=O)(=O)CCNCc1ccccn1)C.Cl.Cl
• InChI: InChI=1S/C10H17N3O2S.2ClH/c1-13(2)16(14,15)8-7-11-9-10-5-3-4-6-12-10;;/h3-6,11H,7-9H2,1-2H3;2*1H
• InChIKey: CZLHGOVLRYVQEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(pyridin-2-ylmethyl)amino]ethane-1-sulfonamide dihydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-[(pyridin-2-ylmethyl)amino]ethanesulfonamide dihydrochloride
• Synonyms: N,N-Dimethyl-2-[(pyridin-2-ylmethyl)amino]-ethanesulfonamide dihydrochloride

Database IDs

• MDL Number: MFCD18205945
• PubChem SID: 162059824
• PubChem CID: 56773448

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.3425958
• LogD (pH = 7.4): -0.8989529
• Log P: -0.711839
• Molar Refractivity: 62.642 cm^3
• Polarizability: 25.486004 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false