1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane

C13H20N2O4S — CID 177234344

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane
SMILESCC.CSC1CC(=O)N(CCN2C(=O)CCC2=O)C1=O
InChIInChI=1S/C11H14N2O4S.C2H6/c1-18-7-6-10(16)13(11(7)17)5-4-12-8(14)2-3-9(12)15;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyJEOWKHFZNPEURS-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.65
Rot. Bonds4

About 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane (PubChem CID 177234344) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane
PubChem CID177234344
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane
SMILESCC.CSC1CC(=O)N(CCN2C(=O)CCC2=O)C1=O
InChIInChI=1S/C11H14N2O4S.C2H6/c1-18-7-6-10(16)13(11(7)17)5-4-12-8(14)2-3-9(12)15;1-2/h7H,2-6H2,1H3;1-2H3
InChIKeyJEOWKHFZNPEURS-UHFFFAOYSA-N
XLogP0.65
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane (CID 177234344) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane is CC.CSC1CC(=O)N(CCN2C(=O)CCC2=O)C1=O.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane?
The InChIKey is JEOWKHFZNPEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S.C2H6/c1-18-7-6-10(16)13(11(7)17)5-4-12-8(14)2-3-9(12)15;1-2/h7H,2-6H2,1H3;1-2H3.
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane has a molecular weight of 300.38 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione;ethane is sourced from PubChem (CID 177234344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).