1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

C11H11NO2S — CID 11298995

IUPAC1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(SN2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H11NO2S/c1-8-2-4-9(5-3-8)15-12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyFFFDOQHCUKCSNE-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.15
Rot. Bonds2

About 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione

1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 11298995) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID11298995
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1ccc(SN2C(=O)CCC2=O)cc1
InChIInChI=1S/C11H11NO2S/c1-8-2-4-9(5-3-8)15-12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3
InChIKeyFFFDOQHCUKCSNE-UHFFFAOYSA-N
XLogP2.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione (CID 11298995) is 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1ccc(SN2C(=O)CCC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is FFFDOQHCUKCSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-2-4-9(5-3-8)15-12-10(13)6-7-11(12)14/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione?
1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 221.28 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 11298995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).