ChemSpider 2D Image | Methyl 3-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)sulfamoyl]-2-thiophenecarboxylate | C13H16N2O5S2

Methyl 3-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)sulfamoyl]-2-thiophenecarboxylate

  • Molecular FormulaC13H16N2O5S2
  • Average mass344.406 Da
  • Monoisotopic mass344.050049 Da
  • ChemSpider ID30747306

More details:

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

2-Thiophenecarboxylic acid, 3-[[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)amino]sulfonyl]-, methyl ester [ACD/Index Name]
3-[(1-Cyclopropyl-5-oxo-3-pyrrolidinyl)sulfamoyl]-2-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)sulfamoyl]-2-thiophenecarboxylate [ACD/IUPAC Name]
Methyl-3-[(1-cyclopropyl-5-oxo-3-pyrrolidinyl)sulfamoyl]-2-thiophencarboxylat [German] [ACD/IUPAC Name]
1396879-00-7 [RN]
methyl 3-(N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)sulfamoyl)thiophene-2-carboxylate
methyl 3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)sulfamoyl]thiophene-2-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 579.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.1±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.14
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 61.46
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.20
ACD/KOC (pH 7.4): 60.98
Polar Surface Area: 129 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 224.9±5.0 cm3

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