(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate

C9H6N2O7S2 — CID 143282311

IUPAC(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate
SMILESO=C(OSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H6N2O7S2/c12-5-1-2-6(13)10(5)17-9(16)18-20-19-11-7(14)3-4-8(11)15/h3-4H,1-2H2
InChIKeyBWGGBTZSBCXYKF-UHFFFAOYSA-N
MW318.29 g/mol
LogP0.34
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate

(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate (PubChem CID 143282311) has the molecular formula C9H6N2O7S2 and a molecular weight of 318.29 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate
PubChem CID143282311
Molecular FormulaC9H6N2O7S2
Molecular Weight318.29 g/mol
Exact Mass317.96
IUPAC Name(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate
SMILESO=C(OSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C9H6N2O7S2/c12-5-1-2-6(13)10(5)17-9(16)18-20-19-11-7(14)3-4-8(11)15/h3-4H,1-2H2
InChIKeyBWGGBTZSBCXYKF-UHFFFAOYSA-N
XLogP0.34
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997
(2,5-Dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate
CID 59861592
1-(2,5-Dioxopyrrolidin-1-yl)oxypyrrole-2,5-dione
CID 126595994
(2,5-Dioxopyrrolidin-1-yl) 2-(2,5-dioxopyrrol-1-yl)sulfanylacetate
CID 132226846
(2,5-Dioxopyrrolidin-1-yl) (2,5-dioxopyrrol-1-yl) carbonate
CID 134308868
1-(Oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;tris(yttrium)
CID 140728791
1-(Oxomethoxy)pyrrolidine-2,5-dione;pyrrol-1-ide-2,5-dione;yttrium
CID 144791109
CID 163671973
CID 163671973
(2,5-Dioxopyrrol-1-yl) butanoate;1-hydroxypyrrolidine-2,5-dione
CID 175381082

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate (CID 143282311) is (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate is O=C(OSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate?
The InChIKey is BWGGBTZSBCXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O7S2/c12-5-1-2-6(13)10(5)17-9(16)18-20-19-11-7(14)3-4-8(11)15/h3-4H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate?
(2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate has a molecular weight of 318.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) [(2,5-dioxopyrrol-1-yl)disulfanyl] carbonate is sourced from PubChem (CID 143282311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).