2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate

C11H16N2O2S2 — CID 575232

IUPAC2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate
SMILESO=C1CCC(=O)N1CCSC(=S)N1CCCC1
InChIInChI=1S/C11H16N2O2S2/c14-9-3-4-10(15)13(9)7-8-17-11(16)12-5-1-2-6-12/h1-8H2
InChIKeyVIWJXMRPIZCGMS-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.25
Rot. Bonds3

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

2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate (PubChem CID 575232) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate
PubChem CID575232
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate
SMILESO=C1CCC(=O)N1CCSC(=S)N1CCCC1
InChIInChI=1S/C11H16N2O2S2/c14-9-3-4-10(15)13(9)7-8-17-11(16)12-5-1-2-6-12/h1-8H2
InChIKeyVIWJXMRPIZCGMS-UHFFFAOYSA-N
XLogP1.25
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
CID 3839879
3,3'-Sulfanediylbis(1-ethylpyrrolidine-2,5-dione)
CID 270424
1-[2-[2-(2,5-Dioxopyrrolidin-1-yl)ethyldisulfanyl]ethyl]pyrrolidine-2,5-dione
CID 1903476
Bas 00531484
CID 262963
3-Methyl-5-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 23856537
2-Thiazolidinethione, 3,3'-(1,6-dioxo-1,6-hexanediyl)bis-
CID 4866772
(3R)-1-[4-[(3R)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 53245659
(3R)-1-[4-[(3S)-2,5-dioxo-3-sulfanylpyrrolidin-1-yl]butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 163410348
(3S)-1-[4-(2,5-dioxopyrrolidin-1-yl)butyl]-3-sulfanylpyrrolidine-2,5-dione
CID 163410349
3,3'-Butylenebis-rhodanine
CID 15354681
1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
CID 102442170
1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
CID 102442172

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate (CID 575232) is 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate is O=C1CCC(=O)N1CCSC(=S)N1CCCC1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate?
The InChIKey is VIWJXMRPIZCGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c14-9-3-4-10(15)13(9)7-8-17-11(16)12-5-1-2-6-12/h1-8H2.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate?
2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate has a molecular weight of 272.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate is sourced from PubChem (CID 575232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).