ChemSpider 2D Image | (3S)-N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide | C13H22N4O3S

(3S)-N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide

  • Molecular FormulaC13H22N4O3S
  • Average mass314.404 Da
  • Monoisotopic mass314.141266 Da
  • ChemSpider ID69247306

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-3-piperidincarboxamid [German] [ACD/IUPAC Name]
(3S)-N-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-3-piperidinecarboxamide [ACD/IUPAC Name]
(3S)-N-[(1,3-Diméthyl-1H-pyrazol-4-yl)méthyl]-1-(méthylsulfonyl)-3-pipéridinecarboxamide [French] [ACD/IUPAC Name]
3-Piperidinecarboxamide, N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(methylsulfonyl)-, (3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 81.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.70
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 28.54
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 28.55
Polar Surface Area: 93 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 230.9±7.0 cm3

Click to predict properties on the Chemicalize site


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