N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide

• ChemBase ID: 570081
• Molecular Formular: C15H25N3O3S
• Molecular Mass: 327.4423
• Monoisotopic Mass: 327.16166268
• SMILES: S(=O)(=O)(N(C1CCN(CC1)C)CCCOC)c1cnccc1
• Canonical SMILES: COCCCN(S(=O)(=O)c1cccnc1)C1CCN(CC1)C
• InChI: InChI=1S/C15H25N3O3S/c1-17-10-6-14(7-11-17)18(9-4-12-21-2)22(19,20)15-5-3-8-16-13-15/h3,5,8,13-14H,4,6-7,9-12H2,1-2H3
• InChIKey: OQRUSDJMURNXPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
• IUPAC Traditional name: N-(3-methoxypropyl)-N-(1-methylpiperidin-4-yl)pyridine-3-sulfonamide
• Synonyms: N-(3-methoxypropyl)-N-(1-methyl-4-piperidinyl)-3-pyridinesulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.317118
• LogD (pH = 7.4): -0.61644536
• Log P: -0.15125336
• Molar Refractivity: 87.2124 cm^3
• Polarizability: 34.628967 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.39
• LOG S: -1.77
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 6