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

• ChemBase ID: 513653
• Molecular Formular: C16H23N5O2S
• Molecular Mass: 349.45112
• Monoisotopic Mass: 349.157246
• SMILES: S(=O)(=O)(N1CC(c2n(Cc3cnccc3)ccn2)CCC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)N1CCCC(C1)c1nccn1Cc1cccnc1)C
• InChI: InChI=1S/C16H23N5O2S/c1-19(2)24(22,23)21-9-4-6-15(13-21)16-18-8-10-20(16)12-14-5-3-7-17-11-14/h3,5,7-8,10-11,15H,4,6,9,12-13H2,1-2H3
• InChIKey: UXPHETXGXWXTQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.75035524
• LogD (pH = 7.4): 0.03489398
• Log P: 0.064081445
• Molar Refractivity: 92.8185 cm^3
• Polarizability: 36.61596 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.96
• LOG S: -0.94
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3