ChemSpider 2D Image | (1R,2S)-N-(2-Methyl-2-propanyl)-N'-[2-(methylsulfonyl)ethyl]-1,2-cyclohexanedicarboxamide | C15H28N2O4S

(1R,2S)-N-(2-Methyl-2-propanyl)-N'-[2-(methylsulfonyl)ethyl]-1,2-cyclohexanedicarboxamide

  • Molecular FormulaC15H28N2O4S
  • Average mass332.459 Da
  • Monoisotopic mass332.176971 Da
  • ChemSpider ID29556610

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S)-N-(2-Methyl-2-propanyl)-N'-[2-(methylsulfonyl)ethyl]-1,2-cyclohexandicarboxamid [German] [ACD/IUPAC Name]
(1R,2S)-N-(2-Methyl-2-propanyl)-N'-[2-(methylsulfonyl)ethyl]-1,2-cyclohexanedicarboxamide [ACD/IUPAC Name]
(1R,2S)-N-(2-Méthyl-2-propanyl)-N'-[2-(méthylsulfonyl)éthyl]-1,2-cyclohexanedicarboxamide [French] [ACD/IUPAC Name]
1,2-Cyclohexanedicarboxamide, N1-(1,1-dimethylethyl)-N2-[2-(methylsulfonyl)ethyl]-, (1R,2S)- [ACD/Index Name]
(1R*,2S*)-N-(tert-butyl)-N'-[2-(methylsulfonyl)ethyl]cyclohexane-1,2-dicarboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 638.8±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.2±31.2 °C
Index of Refraction: 1.503
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.53
ACD/LogD (pH 5.5): 0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.84
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.84
Polar Surface Area: 101 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 290.2±3.0 cm3

Click to predict properties on the Chemicalize site


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