2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane

C7H16F3N3O2S — CID 107493932

IUPAC2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(2)12-16(14,15)13(4-3-11)5-7(8,9)10/h6,12H,3-5,11H2,1-2H3
InChIKeyKUWURLDBLBJGED-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.05
Rot. Bonds6

About 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane

2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane (PubChem CID 107493932) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
PubChem CID107493932
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
SMILESCC(C)NS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-6(2)12-16(14,15)13(4-3-11)5-7(8,9)10/h6,12H,3-5,11H2,1-2H3
InChIKeyKUWURLDBLBJGED-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The IUPAC name of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane (CID 107493932) is 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane.
What is the SMILES notation for 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The canonical SMILES for 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane is CC(C)NS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The InChIKey is KUWURLDBLBJGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-6(2)12-16(14,15)13(4-3-11)5-7(8,9)10/h6,12H,3-5,11H2,1-2H3.
What are the key properties of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane has a molecular weight of 263.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane is sourced from PubChem (CID 107493932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).