ChemSpider 2D Image | Ethyl (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate | C13H21N3O4S

Ethyl (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate

  • Molecular FormulaC13H21N3O4S
  • Average mass315.388 Da
  • Monoisotopic mass315.125275 Da
  • ChemSpider ID41899227

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1-[(3,5-Diméthyl-1H-pyrazol-4-yl)sulfonyl]-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-, ethyl ester, (3R)- [ACD/Index Name]
Ethyl (3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 500.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.9±3.0 kJ/mol
Flash Point: 256.5±32.9 °C
Index of Refraction: 1.549
Molar Refractivity: 77.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 14.17
ACD/KOC (pH 5.5): 232.17
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.18
ACD/KOC (pH 7.4): 232.23
Polar Surface Area: 101 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 243.0±3.0 cm3

Click to predict properties on the Chemicalize site


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