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

C11H16NO3S- — CID 20805536

IUPAC3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILES[CH2-]CSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C11H16NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,1,3-7H2,2H3/q-1
InChIKeyIZLBIDAWQVYAGW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.05
Rot. Bonds6

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

3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (PubChem CID 20805536) has the molecular formula C11H16NO3S- and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
PubChem CID20805536
Molecular FormulaC11H16NO3S-
Molecular Weight242.32 g/mol
Exact Mass242.09
IUPAC Name3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione
SMILES[CH2-]CSC1CC(=O)N(CCCC(C)=O)C1=O
InChIInChI=1S/C11H16NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,1,3-7H2,2H3/q-1
InChIKeyIZLBIDAWQVYAGW-UHFFFAOYSA-N
XLogP1.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione (CID 20805536) is 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is [CH2-]CSC1CC(=O)N(CCCC(C)=O)C1=O.
What is the InChIKey of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
The InChIKey is IZLBIDAWQVYAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3S/c1-3-16-9-7-10(14)12(11(9)15)6-4-5-8(2)13/h9H,1,3-7H2,2H3/q-1.
What are the key properties of 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione?
3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-(4-oxopentyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 20805536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).