2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate

C11H16N2O2S3 — CID 3839879

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
SMILESO=C1CCC(=O)N1CCSC(=S)N1CCSCC1
InChIInChI=1S/C11H16N2O2S3/c14-9-1-2-10(15)13(9)5-8-18-11(16)12-3-6-17-7-4-12/h1-8H2
InChIKeyYTOMHXQCBCNQOF-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.20
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate

2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate (PubChem CID 3839879) has the molecular formula C11H16N2O2S3 and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
PubChem CID3839879
Molecular FormulaC11H16N2O2S3
Molecular Weight304.46 g/mol
Exact Mass304.04
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
SMILESO=C1CCC(=O)N1CCSC(=S)N1CCSCC1
InChIInChI=1S/C11H16N2O2S3/c14-9-1-2-10(15)13(9)5-8-18-11(16)12-3-6-17-7-4-12/h1-8H2
InChIKeyYTOMHXQCBCNQOF-UHFFFAOYSA-N
XLogP1.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate 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-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate (CID 3839879) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate is O=C1CCC(=O)N1CCSC(=S)N1CCSCC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
The InChIKey is YTOMHXQCBCNQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S3/c14-9-1-2-10(15)13(9)5-8-18-11(16)12-3-6-17-7-4-12/h1-8H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate has a molecular weight of 304.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate is sourced from PubChem (CID 3839879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).