ChemSpider 2D Image | Ethyl 1-{[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate | C18H26N2O5S2

Ethyl 1-{[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate

  • Molecular FormulaC18H26N2O5S2
  • Average mass414.539 Da
  • Monoisotopic mass414.128326 Da
  • ChemSpider ID21875100

More details:

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

1-{[1-(2-Thiénylsulfonyl)-3-pipéridinyl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[1-(2-thienylsulfonyl)-3-piperidinyl]carbonyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[1-(Thiophene-2-sulfonyl)-piperidine-3-carbonyl]-piperidine-4-carboxylic acid ethyl ester
ETHYL 1-[1-(THIOPHENE-2-SULFONYL)PIPERIDINE-3-CARBONYL]PIPERIDINE-4-CARBOXYLATE
ethyl 1-{[1-(thiophen-2-ylsulfonyl)piperidin-3-yl]carbonyl}piperidine-4-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 587.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.9±32.9 °C
Index of Refraction: 1.579
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.40
ACD/KOC (pH 5.5): 268.93
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 17.40
ACD/KOC (pH 7.4): 268.93
Polar Surface Area: 121 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 313.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement