3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione

C8H8N2O4S2 — CID 21182567

IUPAC3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(SSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyAEZNJDZKJCAEMS-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.80
Rot. Bonds3

About 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione

3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione (PubChem CID 21182567) has the molecular formula C8H8N2O4S2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione
PubChem CID21182567
Molecular FormulaC8H8N2O4S2
Molecular Weight260.30 g/mol
Exact Mass259.99
IUPAC Name3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(SSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyAEZNJDZKJCAEMS-UHFFFAOYSA-N
XLogP-0.80
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,4-Dioxo-1,3-thiazolidin-5-yl)-1,3-thiazolidine-2,4-dione
CID 3789493
CID 18362525
CID 18362525
3-(Disulfanyl)pyrrolidine-2,5-dione
CID 21883422
Bis(pyrrolidine-2,5-dione);hydrate
CID 21972067
3-[(2,5-Dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
CID 87423107
3-[(2,5-Dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione
CID 87576825
Bis(pyrrolidine-2,5-dione);sulfane
CID 89736292
3-[(2,5-Dioxopyrrolidin-3-yl)sulfanyl-methylamino]sulfanyl-1-methylpyrrolidine-2,5-dione
CID 129044766
2-Oxodithiazolidin-4-one;pyrrolidine-2,5-dione
CID 158695187
1-Iodopyrrolidine-2,5-dione;pyrrolidine-2,5-dione
CID 160403648
Silver;azane;bis(pyrrolidine-2,5-dione)
CID 177722932
(5R)-5-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-1,3-thiazolidine-2,4-dione
CID 1384491

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione (CID 21182567) is 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione is O=C1CC(SSC2CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione?
The InChIKey is AEZNJDZKJCAEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S2/c11-5-1-3(7(13)9-5)15-16-4-2-6(12)10-8(4)14/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14).
What are the key properties of 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione?
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione has a molecular weight of 260.30 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 21182567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).