ChemSpider 2D Image | (3S,4R)-N-Cyclohexyl-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenamine 1,1-dioxide | C20H29NO4S2

(3S,4R)-N-Cyclohexyl-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenamine 1,1-dioxide

  • Molecular FormulaC20H29NO4S2
  • Average mass411.579 Da
  • Monoisotopic mass411.153809 Da
  • ChemSpider ID23399383

  • 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-cyclohexyl-4-(5,6,7,8-tétrahydro-2-naphtalénylsulfonyl)tétrahydro-3-thiophénamine [French] [ACD/IUPAC Name]
(3S,4R)-N-Cyclohexyl-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
(3S,4R)-N-Cyclohexyl-4-(5,6,7,8-tetrahydro-2-naphthalinylsulfonyl)tetrahydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-N-Cyclohexyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)tetrahydrothiophen-3-amine 1,1-dioxide
3-Thiophenamine, N-cyclohexyltetrahydro-4-[(5,6,7,8-tetrahydro-2-naphthalenyl)sulfonyl]-, 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: 669.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.6±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 106.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.23
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 38.43
ACD/KOC (pH 5.5): 373.17
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.83
ACD/KOC (pH 7.4): 852.76
Polar Surface Area: 97 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 309.9±5.0 cm3

Click to predict properties on the Chemicalize site


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