3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane

C11H24F3N3O2S — CID 114803919

IUPAC3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H24F3N3O2S/c1-4-7-17(10(5-2,6-3)8-15)20(18,19)16-9-11(12,13)14/h16H,4-9,15H2,1-3H3
InChIKeyZUBAIBSQNPPHKB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.61
Rot. Bonds9

About 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane

3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane (PubChem CID 114803919) has the molecular formula C11H24F3N3O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane.

Molecular Properties

Compound Name3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
PubChem CID114803919
Molecular FormulaC11H24F3N3O2S
Molecular Weight319.39 g/mol
Exact Mass319.15
IUPAC Name3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane
SMILESCCCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C11H24F3N3O2S/c1-4-7-17(10(5-2,6-3)8-15)20(18,19)16-9-11(12,13)14/h16H,4-9,15H2,1-3H3
InChIKeyZUBAIBSQNPPHKB-UHFFFAOYSA-N
XLogP1.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The IUPAC name of 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane (CID 114803919) is 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane.
What is the SMILES notation for 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The canonical SMILES for 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane is CCCN(C(CC)(CC)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
The InChIKey is ZUBAIBSQNPPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24F3N3O2S/c1-4-7-17(10(5-2,6-3)8-15)20(18,19)16-9-11(12,13)14/h16H,4-9,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane?
3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane has a molecular weight of 319.39 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-[propyl(2,2,2-trifluoroethylsulfamoyl)amino]pentane is sourced from PubChem (CID 114803919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).