3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione

C11H12N2O2S — CID 107644178

IUPAC3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
SMILESCSc1ccccc1NC1CC(=O)NC1=O
InChIInChI=1S/C11H12N2O2S/c1-16-9-5-3-2-4-7(9)12-8-6-10(14)13-11(8)15/h2-5,8,12H,6H2,1H3,(H,13,14,15)
InChIKeyWFMSQQRASDAZLZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.24
Rot. Bonds3

About 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione

3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione (PubChem CID 107644178) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
PubChem CID107644178
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione
SMILESCSc1ccccc1NC1CC(=O)NC1=O
InChIInChI=1S/C11H12N2O2S/c1-16-9-5-3-2-4-7(9)12-8-6-10(14)13-11(8)15/h2-5,8,12H,6H2,1H3,(H,13,14,15)
InChIKeyWFMSQQRASDAZLZ-UHFFFAOYSA-N
XLogP1.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylsulfanylanilino)pyrrolidine-2,5-dione
CID 54866785
3-[2-(difluoromethylsulfanyl)anilino]pyrrolidine-2,5-dione
CID 43637781
3-(2-prop-2-enylsulfanylanilino)pyrrolidine-2,5-dione
CID 54866863
3-(2-ethylanilino)pyrrolidine-2,5-dione
CID 43637713
2-[(2,5-dioxopyrrolidin-3-yl)amino]benzonitrile
CID 43637695
3-(5-chloro-2-fluoroanilino)pyrrolidine-2,5-dione
CID 43637896
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
CID 43637754
3-(2,6-dichloroanilino)pyrrolidine-2,5-dione
CID 65467432
3-(1H-indazol-4-ylamino)pyrrolidine-2,5-dione
CID 54867459
ethane;ethene;3-(2-fluoroanilino)piperidine-2,6-dione;molecular hydrogen
CID 176683577
3-(2,6-dibromoanilino)pyrrolidine-2,5-dione
CID 107598662
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-2,5-dione
CID 81379800

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione (CID 107644178) is 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione is CSc1ccccc1NC1CC(=O)NC1=O.
What is the InChIKey of 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione?
The InChIKey is WFMSQQRASDAZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-16-9-5-3-2-4-7(9)12-8-6-10(14)13-11(8)15/h2-5,8,12H,6H2,1H3,(H,13,14,15).
What are the key properties of 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione?
3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione has a molecular weight of 236.30 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfanylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 107644178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).