3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide

• ChemBase ID: 566151
• Molecular Formular: C15H26N4O2S
• Molecular Mass: 326.45754
• Monoisotopic Mass: 326.17764709
• SMILES: S(=O)(=O)(N1CC(N(Cc2ccncc2)CC)CCC1)N(C)C
• Canonical SMILES: CCN(C1CCCN(C1)S(=O)(=O)N(C)C)Cc1ccncc1
• InChI: InChI=1S/C15H26N4O2S/c1-4-18(12-14-7-9-16-10-8-14)15-6-5-11-19(13-15)22(20,21)17(2)3/h7-10,15H,4-6,11-13H2,1-3H3
• InChIKey: RTGDXGKZOMYRSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
• IUPAC Traditional name: 3-[ethyl(pyridin-4-ylmethyl)amino]-N,N-dimethylpiperidine-1-sulfonamide
• Synonyms: 3-[ethyl(4-pyridinylmethyl)amino]-N,N-dimethyl-1-piperidinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.9878004
• LogD (pH = 7.4): -0.2656989
• Log P: 0.25121805
• Molar Refractivity: 88.863 cm^3
• Polarizability: 35.479084 Å^3
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.36
• LOG S: -0.67
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 3