ChemSpider 2D Image | N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[(4-ethyl-1-piperidinyl)carbonyl]butyl]-5-(dimethylamino)-1-naphthalenesulfonamide | C25H38N6O3S

N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[(4-ethyl-1-piperidinyl)carbonyl]butyl]-5-(dimethylamino)-1-naphthalenesulfonamide

  • Molecular FormulaC25H38N6O3S
  • Average mass502.673 Da
  • Monoisotopic mass502.272614 Da
  • ChemSpider ID109010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Naphthalenesulfonamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[(4-ethyl-1-piperidinyl)carbonyl]butyl]-5-(dimethylamino)- [ACD/Index Name]
55381-72-1 [RN]
N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[(4-ethyl-1-piperidinyl)carbonyl]butyl]-5-(dimethylamino)-1-naphthalenesulfonamide
N-[(2S)-5-[(Diaminomethylen)amino]-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-5-(dimethylamino)-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminométhylène)amino]-1-(4-éthyl-1-pipéridinyl)-1-oxo-2-pentanyl]-5-(diméthylamino)-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminomethylene)amino]-1-(4-ethyl-1-piperidinyl)-1-oxo-2-pentanyl]-5-(dimethylamino)-1-naphthalenesulfonamide [ACD/IUPAC Name]
0ZI
1-(N(sup α)-Dansyl-L-arginyl)-4-ethylpiperidine
Amino{[(4s)-4-({[5-(Dimethylamino)naphthalen-1-Yl]sulfonyl}amino)-5-(4-Ethylpiperidin-1-Yl)-5-Oxopentyl]amino}methaniminium
ANS-ARG-EPI
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BRN 1612577 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 724.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 391.9±35.7 °C
Index of Refraction: 1.629
Molar Refractivity: 138.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.07
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.33
ACD/KOC (pH 5.5): 11.47
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 11.61
Polar Surface Area: 143 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 388.6±7.0 cm3

Click to predict properties on the Chemicalize site


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