3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione

C10H15NO3S — CID 58765954

IUPAC3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCC(C)=O)C1=O
InChIInChI=1S/C10H15NO3S/c1-3-15-8-6-9(13)11(10(8)14)5-4-7(2)12/h8H,3-6H2,1-2H3
InChIKeyAVIMLSWGUOOERF-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.85
Rot. Bonds5

About 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione

3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione (PubChem CID 58765954) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione
PubChem CID58765954
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione
SMILESCCSC1CC(=O)N(CCC(C)=O)C1=O
InChIInChI=1S/C10H15NO3S/c1-3-15-8-6-9(13)11(10(8)14)5-4-7(2)12/h8H,3-6H2,1-2H3
InChIKeyAVIMLSWGUOOERF-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-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione (CID 58765954) is 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione is CCSC1CC(=O)N(CCC(C)=O)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione?
The InChIKey is AVIMLSWGUOOERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-15-8-6-9(13)11(10(8)14)5-4-7(2)12/h8H,3-6H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-(3-oxobutyl)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-ethylsulfanyl-1-(3-oxobutyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 58765954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).