ChemSpider 2D Image | N-[3-(Benzylsulfanyl)propyl]-1-(dimethylsulfamoyl)-4-piperidinecarboxamide | C18H29N3O3S2

N-[3-(Benzylsulfanyl)propyl]-1-(dimethylsulfamoyl)-4-piperidinecarboxamide

  • Molecular FormulaC18H29N3O3S2
  • Average mass399.571 Da
  • Monoisotopic mass399.165039 Da
  • ChemSpider ID28634640

More details:

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

4-Piperidinecarboxamide, 1-[(dimethylamino)sulfonyl]-N-[3-[(phenylmethyl)thio]propyl]- [ACD/Index Name]
N-[3-(Benzylsulfanyl)propyl]-1-(dimethylsulfamoyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)propyl]-1-(dimethylsulfamoyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)propyl]-1-(diméthylsulfamoyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
1-Dimethylsulfamoyl-piperidine-4-carboxylic acid (3-benzylsulfanyl-propyl)-amide
N-[3-(benzylsulfanyl)propyl]-1-(dimethylsulfamoyl)piperidine-4-carboxamide
N-[3-(benzylthio)propyl]-1-[(dimethylamino)sulfonyl]-4-piperidinecarboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.8±54.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.0±31.2 °C
Index of Refraction: 1.596
Molar Refractivity: 108.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 9.69
ACD/KOC (pH 5.5): 176.90
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 9.69
ACD/KOC (pH 7.4): 176.90
Polar Surface Area: 103 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 319.1±5.0 cm3

Click to predict properties on the Chemicalize site


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