1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C13H16F3N3O4S — CID 55949330

IUPAC1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CSC(F)(F)F)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H16F3N3O4S/c14-13(15,16)24-8-12(23)18-5-3-17(4-6-18)11(22)7-19-9(20)1-2-10(19)21/h1-8H2
InChIKeyGNQYTSNTVYJKGF-UHFFFAOYSA-N
MW367.35 g/mol
LogP0.06
Rot. Bonds4

About 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 55949330) has the molecular formula C13H16F3N3O4S and a molecular weight of 367.35 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID55949330
Molecular FormulaC13H16F3N3O4S
Molecular Weight367.35 g/mol
Exact Mass367.08
IUPAC Name1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C(CSC(F)(F)F)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1
InChIInChI=1S/C13H16F3N3O4S/c14-13(15,16)24-8-12(23)18-5-3-17(4-6-18)11(22)7-19-9(20)1-2-10(19)21/h1-8H2
InChIKeyGNQYTSNTVYJKGF-UHFFFAOYSA-N
XLogP0.06
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione 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

1-[2-Oxo-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 49718430
3-(2-Methylthiomorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56787375
(3R)-3-[(2R)-2-methylthiomorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95621696
(3R)-3-[(2S)-2-methylthiomorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95621697
(3S)-3-[(2R)-2-methylthiomorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124780603
(3S)-3-[(2S)-2-methylthiomorpholin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124780604
1-[2-[4-(2-Methylsulfanylethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 1716339
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione;1-(4-methylpiperazin-1-yl)ethanone
CID 157666047
1-[2-Oxo-2-[4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 55949960
1-[2-[4-(2-Tert-butylsulfanylethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 121526736

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 55949330) is 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C(CSC(F)(F)F)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is GNQYTSNTVYJKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O4S/c14-13(15,16)24-8-12(23)18-5-3-17(4-6-18)11(22)7-19-9(20)1-2-10(19)21/h1-8H2.
What are the key properties of 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 367.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[2-(trifluoromethylsulfanyl)acetyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55949330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).