ChemSpider 2D Image | 2-Methyl-2-propanyl (3S)-3-[(2-hydroxyethyl)sulfanyl]-1-piperidinecarboxylate | C12H23NO3S

2-Methyl-2-propanyl (3S)-3-[(2-hydroxyethyl)sulfanyl]-1-piperidinecarboxylate

  • Molecular FormulaC12H23NO3S
  • Average mass261.381 Da
  • Monoisotopic mass261.139862 Da
  • ChemSpider ID28297600

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(2-Hydroxyéthyl)sulfanyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidinecarboxylic acid, 3-[(2-hydroxyethyl)thio]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(2-hydroxyethyl)sulfanyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(2-hydroxyethyl)sulfanyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-(2-Hydroxyethylsulfanyl)piperidine-1-carboxylic acid tert-butyl ester
(S)-3-(2-Hydroxy-ethylsulfanyl)-piperidine-1-carboxylic acid tert-butyl ester
(S)-tert-Butyl 3-((2-hydroxyethyl)thio)piperidine-1-carboxylate
1353994-50-9 [RN]
MFCD21092905
TERT-BUTYL (3S)-3-[(2-HYDROXYETHYL)SULFANYL]PIPERIDINE-1-CARBOXYLATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 389.4±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 189.3±25.1 °C
Index of Refraction: 1.527
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 25.27
ACD/KOC (pH 5.5): 351.26
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 25.27
ACD/KOC (pH 7.4): 351.26
Polar Surface Area: 75 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 230.5±5.0 cm3

Click to predict properties on the Chemicalize site


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