1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione

C12H13NO2S — CID 11053620

IUPAC1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cc(C)cc(SN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H13NO2S/c1-8-5-9(2)7-10(6-8)16-13-11(14)3-4-12(13)15/h5-7H,3-4H2,1-2H3
InChIKeyFBGVDFDYCUOIGO-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.46
Rot. Bonds2

About 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione

1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione (PubChem CID 11053620) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione
PubChem CID11053620
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione
SMILESCc1cc(C)cc(SN2C(=O)CCC2=O)c1
InChIInChI=1S/C12H13NO2S/c1-8-5-9(2)7-10(6-8)16-13-11(14)3-4-12(13)15/h5-7H,3-4H2,1-2H3
InChIKeyFBGVDFDYCUOIGO-UHFFFAOYSA-N
XLogP2.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.46
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-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione (CID 11053620) is 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione is Cc1cc(C)cc(SN2C(=O)CCC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione?
The InChIKey is FBGVDFDYCUOIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-8-5-9(2)7-10(6-8)16-13-11(14)3-4-12(13)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione?
1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione has a molecular weight of 235.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 11053620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).