1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane

C7H16F3N3O2S — CID 107493891

IUPAC1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-2-4-12-16(14,15)13(5-3-11)6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyIEWXODBJYBFBKB-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.05
Rot. Bonds7

About 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane

1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane (PubChem CID 107493891) has the molecular formula C7H16F3N3O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane.

Molecular Properties

Compound Name1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
PubChem CID107493891
Molecular FormulaC7H16F3N3O2S
Molecular Weight263.28 g/mol
Exact Mass263.09
IUPAC Name1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane
SMILESCCCNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C7H16F3N3O2S/c1-2-4-12-16(14,15)13(5-3-11)6-7(8,9)10/h12H,2-6,11H2,1H3
InChIKeyIEWXODBJYBFBKB-UHFFFAOYSA-N
XLogP0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The IUPAC name of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane (CID 107493891) is 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane.
What is the SMILES notation for 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The canonical SMILES for 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane is CCCNS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
The InChIKey is IEWXODBJYBFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F3N3O2S/c1-2-4-12-16(14,15)13(5-3-11)6-7(8,9)10/h12H,2-6,11H2,1H3.
What are the key properties of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane?
1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane has a molecular weight of 263.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]propane is sourced from PubChem (CID 107493891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).