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

C5H8F3N3O2S — CID 114807666

IUPAC2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,3H2,1H3
InChIKeyOKAMIYPICPHKME-UHFFFAOYSA-N
MW231.20 g/mol
LogP-0.12
Rot. Bonds4

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

2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile (PubChem CID 114807666) has the molecular formula C5H8F3N3O2S and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
PubChem CID114807666
Molecular FormulaC5H8F3N3O2S
Molecular Weight231.20 g/mol
Exact Mass231.03
IUPAC Name2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile
SMILESCC(C#N)NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,3H2,1H3
InChIKeyOKAMIYPICPHKME-UHFFFAOYSA-N
XLogP-0.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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

N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
CID 140578437
N-[(1S)-1-cyano-2,2-difluoroethyl]-2-methylpropane-2-sulfonamide
CID 174234358
N-(1-cyanoethyl)-1,1-difluoromethanesulfonamide
CID 61122840
N-(1-cyanopropyl)-1,1-difluoromethanesulfonamide
CID 61124055
N-(1-cyanopropan-2-yl)-1,1-difluoromethanesulfonamide
CID 62094801
N-(1-cyanobutan-2-yl)-1,1-difluoromethanesulfonamide
CID 62645649
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
(2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 104978177
2-N-(2,2,2-trifluoroethylsulfamoyl)propane-1,2-diamine
CID 114803651
2-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,2-diamine
CID 114803679
3-N-(2,2,2-trifluoroethylsulfamoyl)butane-1,3-diamine
CID 114803925

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile (CID 114807666) is 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile is CC(C#N)NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
The InChIKey is OKAMIYPICPHKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N3O2S/c1-4(2-9)11-14(12,13)10-3-5(6,7)8/h4,10-11H,3H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile?
2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile has a molecular weight of 231.20 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoylamino)propanenitrile is sourced from PubChem (CID 114807666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).