ChemSpider 2D Image | (2S,3S)-N,N-Dimethyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)-4-morpholinesulfonamide | C17H32N6O3S

(2S,3S)-N,N-Dimethyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)-4-morpholinesulfonamide

  • Molecular FormulaC17H32N6O3S
  • Average mass400.539 Da
  • Monoisotopic mass400.225647 Da
  • ChemSpider ID129156160

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-N,N-Dimethyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)-4-morpholinesulfonamide [ACD/IUPAC Name]
(2S,3S)-N,N-Diméthyl-2-[(4-méthyl-1,4-diazépan-1-yl)méthyl]-3-(1-méthyl-1H-pyrazol-4-yl)-4-morpholinesulfonamide [French] [ACD/IUPAC Name]
(2S,3S)-N,N-Dimethyl-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)-4-morpholinsulfonamid [German] [ACD/IUPAC Name]
4-Morpholinesulfonamide, 2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-N,N-dimethyl-3-(1-methyl-1H-pyrazol-4-yl)-, (2S,3S)- [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: 556.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.6±30.1 °C
Index of Refraction: 1.621
Molar Refractivity: 106.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -2.00
ACD/LogD (pH 5.5): -4.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 302.6±7.0 cm3

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