N,N-dimethyl-9-oxo-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecane-2-sulfonamide

• ChemBase ID: 534653
• Molecular Formular: C17H26N4O3S
• Molecular Mass: 366.47834
• Monoisotopic Mass: 366.17256171
• SMILES: S(=O)(=O)(N1CC2(CN(C(=O)CC2)Cc2cnccc2)CCC1)N(C)C
• Canonical SMILES: O=C1CCC2(CN1Cc1cccnc1)CCCN(C2)S(=O)(=O)N(C)C
• InChI: InChI=1S/C17H26N4O3S/c1-19(2)25(23,24)21-10-4-7-17(14-21)8-6-16(22)20(13-17)12-15-5-3-9-18-11-15/h3,5,9,11H,4,6-8,10,12-14H2,1-2H3
• InChIKey: BXORFZKNMNUREK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-9-oxo-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecane-2-sulfonamide
• IUPAC Traditional name: N,N-dimethyl-9-oxo-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecane-2-sulfonamide
• Synonyms: N,N-dimethyl-9-oxo-8-(3-pyridinylmethyl)-2,8-diazaspiro[5.5]undecane-2-sulfonamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.62162393
• LogD (pH = 7.4): -0.5503578
• Log P: -0.5493482
• Molar Refractivity: 95.8922 cm^3
• Polarizability: 38.14581 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.96
• LOG S: -1.06
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 2