3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

C10H15NO3S — CID 59324291

IUPAC3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C10H15NO3S/c1-7(12)4-3-5-11-9(13)6-8(15-2)10(11)14/h8H,3-6H2,1-2H3
InChIKeyQCFCXYQVGRACQK-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.85
Rot. Bonds5

About 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione

3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 59324291) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
PubChem CID59324291
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILESCSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C10H15NO3S/c1-7(12)4-3-5-11-9(13)6-8(15-2)10(11)14/h8H,3-6H2,1-2H3
InChIKeyQCFCXYQVGRACQK-UHFFFAOYSA-N
XLogP0.85
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.85
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-(4-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (CID 59324291) is 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is CSC1CC(=O)N(CCCC(C)=O)C1=O.
What is the InChIKey of 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is QCFCXYQVGRACQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7(12)4-3-5-11-9(13)6-8(15-2)10(11)14/h8H,3-6H2,1-2H3.
What are the key properties of 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 229.30 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 59324291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).