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

C8H18F3N3O2S — CID 107493916

IUPAC1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2)5-13-17(15,16)14(4-3-12)6-8(9,10)11/h7,13H,3-6,12H2,1-2H3
InChIKeyWYXJNJBDVVWLRP-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.30
Rot. Bonds7

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

1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane (PubChem CID 107493916) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
PubChem CID107493916
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-7(2)5-13-17(15,16)14(4-3-12)6-8(9,10)11/h7,13H,3-6,12H2,1-2H3
InChIKeyWYXJNJBDVVWLRP-UHFFFAOYSA-N
XLogP0.30
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-Aminoethyl(ethyl)sulfamoyl]amino]-1,1-difluoropropane
CID 155056426
N'-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 55010325
N'-methyl-N'-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propane-1,3-diamine
CID 55010519
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 61252733
2-[2-Aminoethyl(methylsulfamoyl)amino]-1,1-difluoroethane
CID 107493794
1-[[2-Aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
CID 107493806
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpropane-2-sulfonamide
CID 107493814
N'-(2,2-difluoroethyl)-N'-[methyl(propan-2-yl)sulfamoyl]ethane-1,2-diamine
CID 107493816
1-[[2-Aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
CID 107493829
2-[[2-Aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]propane
CID 107493845
2-[[2-Aminoethyl(2,2-difluoroethyl)sulfamoyl]amino]-2-methylpropane
CID 107493859
2-[2-Aminoethyl(ethylsulfamoyl)amino]-1,1-difluoroethane
CID 107493861

Frequently Asked Questions

What is the IUPAC name of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane (CID 107493916) is 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane is CC(C)CNS(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is WYXJNJBDVVWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-7(2)5-13-17(15,16)14(4-3-12)6-8(9,10)11/h7,13H,3-6,12H2,1-2H3.
What are the key properties of 1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane?
1-[[2-aminoethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 277.31 g/mol, XLogP of 0.30, 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]-2-methylpropane is sourced from PubChem (CID 107493916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).