2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile

C6H10F3N3O2S — CID 114807663

IUPAC2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,4H2,1-2H3
InChIKeyRNKOESSSTOYRJW-UHFFFAOYSA-N
MW245.23 g/mol
LogP0.27
Rot. Bonds4

About 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile

2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile (PubChem CID 114807663) has the molecular formula C6H10F3N3O2S and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
PubChem CID114807663
Molecular FormulaC6H10F3N3O2S
Molecular Weight245.23 g/mol
Exact Mass245.04
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
SMILESCC(C)(C#N)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,4H2,1-2H3
InChIKeyRNKOESSSTOYRJW-UHFFFAOYSA-N
XLogP0.27
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile 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-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803658
2-methyl-N-(2,2,2-trifluoroethylsulfamoyl)propan-2-amine
CID 114807159
2-(2,2,2-Trifluoroethylsulfamoylamino)propanenitrile
CID 114807666
2-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807673
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807715
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807722
3-(2,2,2-Trifluoroethylsulfamoylamino)butanenitrile
CID 114807799
3-(2,2,2-Trifluoroethylsulfamoylamino)propanenitrile
CID 114807835
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114807841
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanenitrile
CID 114807845
3-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanenitrile
CID 114807925
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
CID 114808036

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile (CID 114807663) is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile is CC(C)(C#N)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The InChIKey is RNKOESSSTOYRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O2S/c1-5(2,3-10)12-15(13,14)11-4-6(7,8)9/h11-12H,4H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile has a molecular weight of 245.23 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).