ChemSpider 2D Image | N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methyl-1-propanesulfonamide | C17H26N2O2S

N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methyl-1-propanesulfonamide

  • Molecular FormulaC17H26N2O2S
  • Average mass322.466 Da
  • Monoisotopic mass322.171509 Da
  • ChemSpider ID18727432

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Propanesulfonamide, N-[(2R,11bS)-1,3,4,6,7,11b-hexahydro-2H-benzo[a]quinolizin-2-yl]-N-methyl- [ACD/Index Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isochinolin-2-yl]-N-methyl-1-propansulfonamid [German] [ACD/IUPAC Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinoléin-2-yl]-N-méthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]
N-[(2R,11bS)-1,3,4,6,7,11b-Hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methyl-1-propanesulfonamide [ACD/IUPAC Name]
N-[(2R,11bS)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl]-N-methylpropane-1-sulfonamide
Propane-1-sulfonic acid (1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl)-methyl-amide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 228.9±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 90.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 7.78
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 52.29
ACD/KOC (pH 7.4): 393.96
Polar Surface Area: 49 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 266.0±5.0 cm3

Click to predict properties on the Chemicalize site


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