3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

C8H11NO3S — CID 58676398

IUPAC3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C8H11NO3S/c1-5(10)4-9-7(11)3-6(13-2)8(9)12/h6H,3-4H2,1-2H3
InChIKeySPTZIHHPUMUZTG-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.07
Rot. Bonds3

About 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione

3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (PubChem CID 58676398) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
PubChem CID58676398
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C8H11NO3S/c1-5(10)4-9-7(11)3-6(13-2)8(9)12/h6H,3-4H2,1-2H3
InChIKeySPTZIHHPUMUZTG-UHFFFAOYSA-N
XLogP0.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione (CID 58676398) is 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is CSC1CC(=O)N(CC(C)=O)C1=O.
What is the InChIKey of 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
The InChIKey is SPTZIHHPUMUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-5(10)4-9-7(11)3-6(13-2)8(9)12/h6H,3-4H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione?
3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione has a molecular weight of 201.25 g/mol, XLogP of 0.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(2-oxopropyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58676398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).