ChemSpider 2D Image | 4-(4-{2-[(Methylsulfonyl)amino]ethyl}-1-piperidinyl)thieno[3,2-d]pyrimidine-6-carboxamide | C15H21N5O3S2

4-(4-{2-[(Methylsulfonyl)amino]ethyl}-1-piperidinyl)thieno[3,2-d]pyrimidine-6-carboxamide

  • Molecular FormulaC15H21N5O3S2
  • Average mass383.489 Da
  • Monoisotopic mass383.108582 Da
  • ChemSpider ID29418530

More details:






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

4-(4-{2-[(Methylsulfonyl)amino]ethyl}-1-piperidinyl)thieno[3,2-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
4-(4-{2-[(Methylsulfonyl)amino]ethyl}-1-piperidinyl)thieno[3,2-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
4-(4-{2-[(Méthylsulfonyl)amino]éthyl}-1-pipéridinyl)thiéno[3,2-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
4-(4-{2-[(Methylsulfonyl)amino]ethyl}piperidin-1-Yl)thieno[3,2-D]pyrimidine-6-Carboxamide
Thieno[3,2-d]pyrimidine-6-carboxamide, 4-[4-[2-[(methylsulfonyl)amino]ethyl]-1-piperidinyl]- [ACD/Index Name]
10.1021/jm400204k
1431411-66-3 [RN]
1NS
4-[4-[2-[(methylsulfonyl)amino]ethyl]-1-piperidinyl]-Thieno[3,2-d]pyrimidine-6-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 657.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±34.3 °C
Index of Refraction: 1.631
Molar Refractivity: 97.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.61
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 2.41
ACD/KOC (pH 5.5): 63.73
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 2.64
ACD/KOC (pH 7.4): 69.63
Polar Surface Area: 155 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 65.6±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

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