ChemSpider 2D Image | (3S,4R)-N-Isopropyl-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide | C14H21NO5S2

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

  • Molecular FormulaC14H21NO5S2
  • Average mass347.450 Da
  • Monoisotopic mass347.086121 Da
  • ChemSpider ID22953528

  • 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-isopropyl-4-[(4-méthoxyphényl)sulfonyl]tétrahydro-3-thiophénamine [French] [ACD/IUPAC Name]
(3S,4R)-N-Isopropyl-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-3-thiophenamin-1,1-dioxid [German] [ACD/IUPAC Name]
(3S,4R)-N-Isopropyl-4-[(4-methoxyphenyl)sulfonyl]tetrahydro-3-thiophenamine 1,1-dioxide [ACD/IUPAC Name]
3-Thiophenamine, tetrahydro-4-[(4-methoxyphenyl)sulfonyl]-N-(1-methylethyl)-, 1,1-dioxide, (3S,4R)- [ACD/Index Name]
(3S,4R)-4-(4-methoxyphenyl)sulfonyl-1,1-dioxo-N-propan-2-ylthiolan-3-amine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 594.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 84.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.61
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.61
ACD/KOC (pH 7.4): 47.89
Polar Surface Area: 106 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 256.9±5.0 cm3

Click to predict properties on the Chemicalize site


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