(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane

C20H34N2O4S2 — CID 144767694

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane
SMILESCC.CC.CC.CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1
InChIInChI=1S/C14H16N2O4S2.3C2H6/c1-10(21-22-11-4-2-3-9-15-11)5-8-14(19)20-16-12(17)6-7-13(16)18;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3
InChIKeyCORCFCVCLABQSC-UHFFFAOYSA-N
MW430.64 g/mol
LogP5.68
Rot. Bonds7

About (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane

(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane (PubChem CID 144767694) has the molecular formula C20H34N2O4S2 and a molecular weight of 430.64 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane
PubChem CID144767694
Molecular FormulaC20H34N2O4S2
Molecular Weight430.64 g/mol
Exact Mass430.20
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane
SMILESCC.CC.CC.CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1
InChIInChI=1S/C14H16N2O4S2.3C2H6/c1-10(21-22-11-4-2-3-9-15-11)5-8-14(19)20-16-12(17)6-7-13(16)18;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3
InChIKeyCORCFCVCLABQSC-UHFFFAOYSA-N
XLogP5.68
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane (CID 144767694) is (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane is CC.CC.CC.CC(CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane?
The InChIKey is CORCFCVCLABQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2.3C2H6/c1-10(21-22-11-4-2-3-9-15-11)5-8-14(19)20-16-12(17)6-7-13(16)18;3*1-2/h2-4,9-10H,5-8H2,1H3;3*1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane?
(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane has a molecular weight of 430.64 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)pentanoate;ethane is sourced from PubChem (CID 144767694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).