1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane

C8H18F3N3O2S — CID 114803746

IUPAC1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
SMILESCCN(CC(C)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-14(5-7(2)4-12)17(15,16)13-6-8(9,10)11/h7,13H,3-6,12H2,1-2H3
InChIKeyQUAWUSPKOGVTQW-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.30
Rot. Bonds7

About 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane

1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane (PubChem CID 114803746) has the molecular formula C8H18F3N3O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane.

Molecular Properties

Compound Name1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
PubChem CID114803746
Molecular FormulaC8H18F3N3O2S
Molecular Weight277.31 g/mol
Exact Mass277.11
IUPAC Name1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane
SMILESCCN(CC(C)CN)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H18F3N3O2S/c1-3-14(5-7(2)4-12)17(15,16)13-6-8(9,10)11/h7,13H,3-6,12H2,1-2H3
InChIKeyQUAWUSPKOGVTQW-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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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The IUPAC name of 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane (CID 114803746) is 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane.
What is the SMILES notation for 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The canonical SMILES for 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane is CCN(CC(C)CN)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
The InChIKey is QUAWUSPKOGVTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3N3O2S/c1-3-14(5-7(2)4-12)17(15,16)13-6-8(9,10)11/h7,13H,3-6,12H2,1-2H3.
What are the key properties of 1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane?
1-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)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-amino-3-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropane is sourced from PubChem (CID 114803746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).