3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione

C16H13NO2S — CID 14796237

IUPAC3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)C1Sc1ccccc1
InChIInChI=1S/C16H13NO2S/c18-15-13(11-7-3-1-4-8-11)14(16(19)17-15)20-12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)
InChIKeyBBRMUZBJIJQUIU-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.59
Rot. Bonds3

About 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione

3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione (PubChem CID 14796237) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
PubChem CID14796237
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)C1Sc1ccccc1
InChIInChI=1S/C16H13NO2S/c18-15-13(11-7-3-1-4-8-11)14(16(19)17-15)20-12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19)
InChIKeyBBRMUZBJIJQUIU-UHFFFAOYSA-N
XLogP2.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione?
The IUPAC name of 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione (CID 14796237) is 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione is O=C1NC(=O)C(c2ccccc2)C1Sc1ccccc1.
What is the InChIKey of 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione?
The InChIKey is BBRMUZBJIJQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S/c18-15-13(11-7-3-1-4-8-11)14(16(19)17-15)20-12-9-5-2-6-10-12/h1-10,13-14H,(H,17,18,19).
What are the key properties of 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione?
3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione has a molecular weight of 283.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-phenylsulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 14796237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).