1-(4-sulfanylphenyl)pyrrolidine-2,5-dione

C10H9NO2S — CID 132842992

IUPAC1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S)cc1
InChIInChI=1S/C10H9NO2S/c12-9-5-6-10(13)11(9)7-1-3-8(14)4-2-7/h1-4,14H,5-6H2
InChIKeyHYIPDFMIGWBLBR-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.63
Rot. Bonds1

About 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione

1-(4-sulfanylphenyl)pyrrolidine-2,5-dione (PubChem CID 132842992) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
PubChem CID132842992
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name1-(4-sulfanylphenyl)pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1c1ccc(S)cc1
InChIInChI=1S/C10H9NO2S/c12-9-5-6-10(13)11(9)7-1-3-8(14)4-2-7/h1-4,14H,5-6H2
InChIKeyHYIPDFMIGWBLBR-UHFFFAOYSA-N
XLogP1.63
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152
1-[4-[4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]anilino]phenyl]pyrrolidine-2,5-dione
CID 86007411
4-(2,5-dioxopyrrolidin-1-yl)benzaldehyde
CID 106913640
1-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-2,5-dione
CID 19585587
1-[4-(furan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 168527054
1-(4-chlorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 71437683
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 155676158
1-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]pyrrolidine-2,5-dione
CID 139125075
2-[4-(2,5-dioxopyrrolidin-1-yl)phenoxy]acetonitrile
CID 43243082
[ditert-butyl-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]-λ4-sulfanyl] thiohypofluorite
CID 155745317
1-(4-amino-2,6-dichlorophenyl)pyrrolidine-2,5-dione;1-(4-aminophenyl)pyrrolidine-2,5-dione
CID 159530815
4-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]butanoic acid
CID 86174212

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione (CID 132842992) is 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione is O=C1CCC(=O)N1c1ccc(S)cc1.
What is the InChIKey of 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione?
The InChIKey is HYIPDFMIGWBLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-9-5-6-10(13)11(9)7-1-3-8(14)4-2-7/h1-4,14H,5-6H2.
What are the key properties of 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione?
1-(4-sulfanylphenyl)pyrrolidine-2,5-dione has a molecular weight of 207.25 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfanylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 132842992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).