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

C10H8N2O6S2 — CID 59861592

IUPAC(2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate
SMILESO=C(CSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O6S2/c13-6-1-2-7(14)11(6)18-10(17)5-19-20-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2
InChIKeySYXFUYSHGAMBIJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP-0.19
Rot. Bonds5

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

(2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate (PubChem CID 59861592) has the molecular formula C10H8N2O6S2 and a molecular weight of 316.32 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate
PubChem CID59861592
Molecular FormulaC10H8N2O6S2
Molecular Weight316.32 g/mol
Exact Mass315.98
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate
SMILESO=C(CSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O
InChIInChI=1S/C10H8N2O6S2/c13-6-1-2-7(14)11(6)18-10(17)5-19-20-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2
InChIKeySYXFUYSHGAMBIJ-UHFFFAOYSA-N
XLogP-0.19
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate (CID 59861592) is (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate is O=C(CSSN1C(=O)C=CC1=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate?
The InChIKey is SYXFUYSHGAMBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O6S2/c13-6-1-2-7(14)11(6)18-10(17)5-19-20-12-8(15)3-4-9(12)16/h3-4H,1-2,5H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate?
(2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate has a molecular weight of 316.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2-[(2,5-dioxopyrrol-1-yl)disulfanyl]acetate is sourced from PubChem (CID 59861592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).