N-methyl-N-[2-(pyridin-2-yl)ethyl]-1-(pyridine-3-sulfonyl)piperidin-3-amine

• ChemBase ID: 557315
• Molecular Formular: C18H24N4O2S
• Molecular Mass: 360.47376
• Monoisotopic Mass: 360.16199703
• SMILES: S(=O)(=O)(N1CC(N(CCc2ncccc2)C)CCC1)c1cnccc1
• Canonical SMILES: CN(C1CCCN(C1)S(=O)(=O)c1cccnc1)CCc1ccccn1
• InChI: InChI=1S/C18H24N4O2S/c1-21(13-9-16-6-2-3-11-20-16)17-7-5-12-22(15-17)25(23,24)18-8-4-10-19-14-18/h2-4,6,8,10-11,14,17H,5,7,9,12-13,15H2,1H3
• InChIKey: BVDLYXPGVMDSSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-1-(pyridine-3-sulfonyl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-N-[2-(pyridin-2-yl)ethyl]-1-(pyridine-3-sulfonyl)piperidin-3-amine
• Synonyms: N-methyl-N-[2-(2-pyridinyl)ethyl]-1-(3-pyridinylsulfonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1365938
• LogD (pH = 7.4): 0.5943726
• Log P: 1.1184506
• Molar Refractivity: 97.7156 cm^3
• Polarizability: 38.85582 Å^3
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.5
• LOG S: -1.21
• Polar Surface Area: 66.4 Å^2
• Rotatable Bonds: 5