ChemSpider 2D Image | N-[(3R,4S)-4-Cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinyl]methanesulfonamide | C13H22N4O4S

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

  • Molecular FormulaC13H22N4O4S
  • Average mass330.403 Da
  • Monoisotopic mass330.136169 Da
  • ChemSpider ID29765318

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[(3R,4S)-4-cyclopropyl-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-pyrrolidinyl]- [ACD/Index Name]
N-[(3R,4S)-4-Cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinyl]methanesulfonamide [ACD/IUPAC Name]
N-[(3R,4S)-4-Cyclopropyl-1-{[3-(méthoxyméthyl)-1,2,4-oxadiazol-5-yl]méthyl}-3-pyrrolidinyl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[(3R,4S)-4-Cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinyl]methansulfonamid [German] [ACD/IUPAC Name]
N-((3R*,4S*)-4-cyclopropyl-1-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-pyrrolidinyl)methanesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 477.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.8±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 79.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.56
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.54
Polar Surface Area: 106 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 61.7±5.0 dyne/cm
Molar Volume: 242.1±5.0 cm3

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