1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione

C10H12N2O4S2 — CID 75988972

IUPAC1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1CCN1C(=O)CC(S)C1=O
InChIInChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2
InChIKeyLGNBDRSPICNZMC-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.90
Rot. Bonds3

About 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione

1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 75988972) has the molecular formula C10H12N2O4S2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione
PubChem CID75988972
Molecular FormulaC10H12N2O4S2
Molecular Weight288.35 g/mol
Exact Mass288.02
IUPAC Name1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione
SMILESO=C1CC(S)C(=O)N1CCN1C(=O)CC(S)C1=O
InChIInChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2
InChIKeyLGNBDRSPICNZMC-UHFFFAOYSA-N
XLogP-0.90
TPSA74.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione (CID 75988972) is 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione is O=C1CC(S)C(=O)N1CCN1C(=O)CC(S)C1=O.
What is the InChIKey of 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is LGNBDRSPICNZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S2/c13-7-3-5(17)9(15)11(7)1-2-12-8(14)4-6(18)10(12)16/h5-6,17-18H,1-4H2.
What are the key properties of 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione?
1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethyl]-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 75988972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).