ChemSpider 2D Image | (3aR,6aS)-N-(2-Cyanoethyl)-N-(2-methoxyethyl)-5-methylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide | C13H24N4O3S

(3aR,6aS)-N-(2-Cyanoethyl)-N-(2-methoxyethyl)-5-methylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID35204745
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aR,6aS)-N-(2-Cyanethyl)-N-(2-methoxyethyl)-5-methylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-sulfonamid [German] [ACD/IUPAC Name]
(3aR,6aS)-N-(2-Cyanoethyl)-N-(2-methoxyethyl)-5-methylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide [ACD/IUPAC Name]
(3aR,6aS)-N-(2-Cyanoéthyl)-N-(2-méthoxyéthyl)-5-méthylhexahydropyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide [French] [ACD/IUPAC Name]
Pyrrolo[3,4-c]pyrrole-2(1H)-sulfonamide, N-(2-cyanoethyl)hexahydro-N-(2-methoxyethyl)-5-methyl-, (3aR,6aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 481.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.1±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 80.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.83
ACD/LogD (pH 5.5): -3.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 245.9±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement