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

C8H8N2O4S4 — CID 87576825

IUPAC3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(SSSSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S4/c11-5-1-3(7(13)9-5)15-17-18-16-4-2-6(12)10-8(4)14/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyVMHVSFWIJBMBML-UHFFFAOYSA-N
MW324.43 g/mol
LogP0.49
Rot. Bonds5

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

3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione (PubChem CID 87576825) has the molecular formula C8H8N2O4S4 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione
PubChem CID87576825
Molecular FormulaC8H8N2O4S4
Molecular Weight324.43 g/mol
Exact Mass323.94
IUPAC Name3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione
SMILESO=C1CC(SSSSC2CC(=O)NC2=O)C(=O)N1
InChIInChI=1S/C8H8N2O4S4/c11-5-1-3(7(13)9-5)15-17-18-16-4-2-6(12)10-8(4)14/h3-4H,1-2H2,(H,9,11,13)(H,10,12,14)
InChIKeyVMHVSFWIJBMBML-UHFFFAOYSA-N
XLogP0.49
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione (CID 87576825) is 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione is O=C1CC(SSSSC2CC(=O)NC2=O)C(=O)N1.
What is the InChIKey of 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione?
The InChIKey is VMHVSFWIJBMBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4S4/c11-5-1-3(7(13)9-5)15-17-18-16-4-2-6(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)tetrasulfanyl]pyrrolidine-2,5-dione?
3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione has a molecular weight of 324.43 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dioxopyrrolidin-3-yl)tetrasulfanyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 87576825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).