N-ethyl-N-methyl-3-oxo-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecane-9-sulfonamide

• ChemBase ID: 746690
• Molecular Formular: C19H30N4O3S
• Molecular Mass: 394.5315
• Monoisotopic Mass: 394.20386184
• SMILES: S(=O)(=O)(N1CCC2(CN(C(=O)CC2)CCc2cnccc2)CC1)N(CC)C
• Canonical SMILES: CCN(S(=O)(=O)N1CCC2(CC1)CCC(=O)N(C2)CCc1cccnc1)C
• InChI: InChI=1S/C19H30N4O3S/c1-3-21(2)27(25,26)23-13-9-19(10-14-23)8-6-18(24)22(16-19)12-7-17-5-4-11-20-15-17/h4-5,11,15H,3,6-10,12-14,16H2,1-2H3
• InChIKey: HOQSCCFFDDITER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-3-oxo-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• IUPAC Traditional name: N-ethyl-N-methyl-3-oxo-2-[2-(pyridin-3-yl)ethyl]-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• Synonyms: N-ethyl-N-methyl-3-oxo-2-(2-pyridin-3-ylethyl)-2,9-diazaspiro[5.5]undecane-9-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.15066823
• LogD (pH = 7.4): -0.061091814
• Log P: -0.05978646
• Molar Refractivity: 105.5498 cm^3
• Polarizability: 41.818886 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.01
• LOG S: -2.08
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 4