2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile

C8H14F3N3O2S — CID 114807722

IUPAC2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-4,6H2,1-2H3
InChIKeyBOMNFEAIXITUJV-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds6

About 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile

2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile (PubChem CID 114807722) has the molecular formula C8H14F3N3O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
PubChem CID114807722
Molecular FormulaC8H14F3N3O2S
Molecular Weight273.28 g/mol
Exact Mass273.08
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
SMILESCCC(C#N)(CC)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H14F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-4,6H2,1-2H3
InChIKeyBOMNFEAIXITUJV-UHFFFAOYSA-N
XLogP1.06
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114807663
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807715
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807845
3-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807925
2-Ethyl-2-(propylsulfamoylamino)butanenitrile
CID 114807723
2-Ethyl-2-(ethylsulfamoylamino)butanenitrile
CID 114807725
2-Ethyl-2-(methylsulfamoylamino)butanenitrile
CID 114807726
2-Ethyl-2-(propan-2-ylsulfamoylamino)butanenitrile
CID 114807727
2-Ethyl-2-(2-methylpropylsulfamoylamino)butanenitrile
CID 114815079

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile (CID 114807722) is 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile is CCC(C#N)(CC)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile?
The InChIKey is BOMNFEAIXITUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2S/c1-3-7(4-2,5-12)14-17(15,16)13-6-8(9,10)11/h13-14H,3-4,6H2,1-2H3.
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile?
2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile has a molecular weight of 273.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile is sourced from PubChem (CID 114807722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).