ChemSpider 2D Image | 2-[Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate | C21H36N2O6S

2-[Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID32934816

More details:

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

1-(2,2-Diméthylpropanoyl)-4-pipéridinecarboxylate de 2-[butyl(1,1-dioxydotétrahydro-3-thiophényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl 1-(2,2-dimethylpropanoyl)-4-piperidinecarboxylate [ACD/IUPAC Name]
2-[Butyl(1,1-dioxidotetrahydro-3-thiophenyl)amino]-2-oxoethyl-1-(2,2-dimethylpropanoyl)-4-piperidincarboxylat [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-(2,2-dimethyl-1-oxopropyl)-, 2-[butyl(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 113.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 175.22
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.56
ACD/KOC (pH 7.4): 175.22
Polar Surface Area: 109 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 366.4±5.0 cm3

Click to predict properties on the Chemicalize site


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