N-methyl-N-(2-phenylethyl)-1-(pyridine-3-sulfonyl)piperidin-3-amine

• ChemBase ID: 853383
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: S(=O)(=O)(N1CC(N(CCc2ccccc2)C)CCC1)c1cnccc1
• Canonical SMILES: CN(C1CCCN(C1)S(=O)(=O)c1cccnc1)CCc1ccccc1
• InChI: InChI=1S/C19H25N3O2S/c1-21(14-11-17-7-3-2-4-8-17)18-9-6-13-22(16-18)25(23,24)19-10-5-12-20-15-19/h2-5,7-8,10,12,15,18H,6,9,11,13-14,16H2,1H3
• InChIKey: UANGYNOAUUDFFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-phenylethyl)-1-(pyridine-3-sulfonyl)piperidin-3-amine
• IUPAC Traditional name: N-methyl-N-(2-phenylethyl)-1-(pyridine-3-sulfonyl)piperidin-3-amine
• Synonyms: N-methyl-N-(2-phenylethyl)-1-(3-pyridinylsulfonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3181806
• LogD (pH = 7.4): 1.4559058
• Log P: 2.3062997
• Molar Refractivity: 100.4503 cm^3
• Polarizability: 39.750042 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.0
• LOG S: -1.82
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5