1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione

C10H7NO2S — CID 131861871

IUPAC1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
SMILESO=C1CC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C10H7NO2S/c12-8-6-9(14)11(10(8)13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYOKSOYKGVSAXQL-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.32
Rot. Bonds1

About 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione

1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione (PubChem CID 131861871) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
PubChem CID131861871
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione
SMILESO=C1CC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C10H7NO2S/c12-8-6-9(14)11(10(8)13)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYOKSOYKGVSAXQL-UHFFFAOYSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,5-diphenyl-1,5-diazocane-2,4,6,8-tetrone
CID 155228922
3-methylidene-1-phenylpyrrolidine-2,5-dione
CID 13108227
3,4-difluoro-1-phenylpyrrole-2,5-dione
CID 13059269
1,3-diphenyl-1,3-diazinane-2,4,5,6-tetrone
CID 22323521
1-phenyl-3-pyridin-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 12036393
1-phenyl-3,4-dipyrrolidin-1-ylpyrrole-2,5-dione
CID 138976955
1,3,3-triphenyl-4-sulfanylideneazetidin-2-one
CID 165357462
(3E)-3-(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)pyrrolidine-2,5-dione
CID 132560312
methane;1-phenylpyrrole-2,5-dione
CID 174935875
1-phenyl-3-phenyliminopyrrolidine-2,5-dione
CID 57166178
5,6-dichloro-2-phenyl-3-sulfanylideneisoindol-1-one
CID 13163058
(1S,5R)-3-phenyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 101481235

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione?
The IUPAC name of 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione (CID 131861871) is 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione.
What is the SMILES notation for 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione?
The canonical SMILES for 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione is O=C1CC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione?
The InChIKey is YOKSOYKGVSAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-8-6-9(14)11(10(8)13)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione?
1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione has a molecular weight of 205.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-sulfanylidenepyrrolidine-2,3-dione is sourced from PubChem (CID 131861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).