ChemSpider 2D Image | 2-({(3S,4R)-1-[2-(Dimethylamino)-4-pyrimidinyl]-4-methoxy-3-pyrrolidinyl}amino)-N,N-dimethyl-1-propanesulfonamide | C16H30N6O3S

2-({(3S,4R)-1-[2-(Dimethylamino)-4-pyrimidinyl]-4-methoxy-3-pyrrolidinyl}amino)-N,N-dimethyl-1-propanesulfonamide

  • Molecular FormulaC16H30N6O3S
  • Average mass386.513 Da
  • Monoisotopic mass386.210022 Da
  • ChemSpider ID81161304

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-Propanesulfonamide, 2-[[(3S,4R)-1-[2-(dimethylamino)-4-pyrimidinyl]-4-methoxy-3-pyrrolidinyl]amino]-N,N-dimethyl- [ACD/Index Name]
2-({(3S,4R)-1-[2-(Dimethylamino)-4-pyrimidinyl]-4-methoxy-3-pyrrolidinyl}amino)-N,N-dimethyl-1-propanesulfonamide [ACD/IUPAC Name]
2-({(3S,4R)-1-[2-(Diméthylamino)-4-pyrimidinyl]-4-méthoxy-3-pyrrolidinyl}amino)-N,N-diméthyl-1-propanesulfonamide [French] [ACD/IUPAC Name]
2-({(3S,4R)-1-[2-(Dimethylamino)-4-pyrimidinyl]-4-methoxy-3-pyrrolidinyl}amino)-N,N-dimethyl-1-propansulfonamid [German] [ACD/IUPAC 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: 552.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.0±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.08
Polar Surface Area: 99 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 57.3±5.0 dyne/cm
Molar Volume: 307.3±5.0 cm3

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