N,N-diethyl-3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide

• ChemBase ID: 410992
• Molecular Formular: C18H27N5O2S
• Molecular Mass: 377.50428
• Monoisotopic Mass: 377.18854613
• SMILES: S(=O)(=O)(N1CC(c2n(Cc3cnccc3)ccn2)CCC1)N(CC)CC
• Canonical SMILES: CCN(S(=O)(=O)N1CCCC(C1)c1nccn1Cc1cccnc1)CC
• InChI: InChI=1S/C18H27N5O2S/c1-3-22(4-2)26(24,25)23-11-6-8-17(15-23)18-20-10-12-21(18)14-16-7-5-9-19-13-16/h5,7,9-10,12-13,17H,3-4,6,8,11,14-15H2,1-2H3
• InChIKey: JTVWYQSWERDURC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide
• IUPAC Traditional name: N,N-diethyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-sulfonamide
• Synonyms: N,N-diethyl-3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidine-1-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.036738846
• LogD (pH = 7.4): 0.7485099
• Log P: 0.7776973
• Molar Refractivity: 102.3157 cm^3
• Polarizability: 40.290077 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.1
• LOG S: -2.05
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 5