ChemSpider 2D Image | 4-{1-[3-(Methylsulfanyl)propyl]-3-pyrrolidinyl}-1-(methylsulfonyl)piperidine | C14H28N2O2S2

4-{1-[3-(Methylsulfanyl)propyl]-3-pyrrolidinyl}-1-(methylsulfonyl)piperidine

  • Molecular FormulaC14H28N2O2S2
  • Average mass320.514 Da
  • Monoisotopic mass320.159210 Da
  • ChemSpider ID44230650

More details:

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

4-{1-[3-(Methylsulfanyl)propyl]-3-pyrrolidinyl}-1-(methylsulfonyl)piperidin [German] [ACD/IUPAC Name]
4-{1-[3-(Methylsulfanyl)propyl]-3-pyrrolidinyl}-1-(methylsulfonyl)piperidine [ACD/IUPAC Name]
4-{1-[3-(Méthylsulfanyl)propyl]-3-pyrrolidinyl}-1-(méthylsulfonyl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-(methylsulfonyl)-4-[1-[3-(methylthio)propyl]-3-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 452.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.4±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 74 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 269.8±5.0 cm3

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