ChemSpider 2D Image | 1-[(3S,4R)-1,1-Dioxido-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenyl]-4-methylpiperidine | C20H29NO4S2

1-[(3S,4R)-1,1-Dioxido-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenyl]-4-methylpiperidine

  • Molecular FormulaC20H29NO4S2
  • Average mass411.579 Da
  • Monoisotopic mass411.153809 Da
  • ChemSpider ID23399384

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3S,4R)-1,1-Dioxido-4-(5,6,7,8-tetrahydro-2-naphthalenylsulfonyl)tetrahydro-3-thiophenyl]-4-methylpiperidine [ACD/IUPAC Name]
1-[(3S,4R)-1,1-Dioxido-4-(5,6,7,8-tetrahydro-2-naphthalinylsulfonyl)tetrahydro-3-thiophenyl]-4-methylpiperidin [German] [ACD/IUPAC Name]
1-[(3S,4R)-1,1-Dioxido-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)tetrahydrothiophen-3-yl]-4-methylpiperidine
1-[(3S,4R)-1,1-Dioxydo-4-(5,6,7,8-tétrahydro-2-naphtalénylsulfonyl)tétrahydro-3-thiophényl]-4-méthylpipéridine [French] [ACD/IUPAC Name]
Piperidine, 4-methyl-1-[(3S,4R)-tetrahydro-1,1-dioxido-4-[(5,6,7,8-tetrahydro-2-naphthalenyl)sulfonyl]-3-thienyl]- [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: 644.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.581
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 30.79
ACD/KOC (pH 5.5): 265.02
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 130.72
ACD/KOC (pH 7.4): 1125.28
Polar Surface Area: 88 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 320.5±3.0 cm3

Click to predict properties on the Chemicalize site


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