ChemSpider 2D Image | N-{(3S,4R)-1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide | C13H24N4O3S

N-{(3S,4R)-1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide

  • Molecular FormulaC13H24N4O3S
  • Average mass316.420 Da
  • Monoisotopic mass316.156921 Da
  • ChemSpider ID29457833
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Methanesulfonamide, N-[(3S,4R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-(1-methylethyl)-3-pyrrolidinyl]- [ACD/Index Name]
N-{(3S,4R)-1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide [ACD/IUPAC Name]
N-{(3S,4R)-1-[(5-Éthyl-1,3,4-oxadiazol-2-yl)méthyl]-4-isopropyl-3-pyrrolidinyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{(3S,4R)-1-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methansulfonamid [German] [ACD/IUPAC Name]
N-{(3S*,4R*)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-isopropyl-3-pyrrolidinyl}methanesulfonamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 450.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.3±31.5 °C
Index of Refraction: 1.541
Molar Refractivity: 80.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.33
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 63.38
Polar Surface Area: 97 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 254.7±5.0 cm3

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