ChemSpider 2D Image | (3S,4R)-N-Cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide | C19H29NO4S2

(3S,4R)-N-Cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide

  • Molecular FormulaC19H29NO4S2
  • Average mass399.568 Da
  • Monoisotopic mass399.153809 Da
  • ChemSpider ID23399201

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R) 1,1-Dioxyde de N-cycloheptyl-4-[(4-éthylphényl)sulfonyl]tétrahydro-3-thiophénamine [French] [ACD/IUPAC Name]
(3S,4R)-N-Cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-N-Cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
(3S,4R)-N-Cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydrothiophen-3-amine 1,1-dioxide
3-Thiophenamine, N-cycloheptyl-4-[(4-ethylphenyl)sulfonyl]tetrahydro-, 1,1-dioxide, (3S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.579
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 26.66
ACD/KOC (pH 5.5): 282.71
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.29
ACD/KOC (pH 7.4): 681.75
Polar Surface Area: 97 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 313.0±5.0 cm3

Click to predict properties on the Chemicalize site


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