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

C8H18F3N3O2S — CID 107493943

IUPAC2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)(C)NS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,3)13-17(15,16)14(5-4-12)6-8(9,10)11/h13H,4-6,12H2,1-3H3
InChIKeyBEUSQPOPJSFVCS-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.44
Rot. Bonds5

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

2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 107493943) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
PubChem CID107493943
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)(C)NS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2,3)13-17(15,16)14(5-4-12)6-8(9,10)11/h13H,4-6,12H2,1-3H3
InChIKeyBEUSQPOPJSFVCS-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.44
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]-2-methylpropane?
The IUPAC name of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane (CID 107493943) is 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane is CC(C)(C)NS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is BEUSQPOPJSFVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(2,3)13-17(15,16)14(5-4-12)6-8(9,10)11/h13H,4-6,12H2,1-3H3.
What are the key properties of 2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
2-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 277.31 g/mol, XLogP of 0.44, 5 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]-2-methylpropane is sourced from PubChem (CID 107493943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).