[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate

C9H12N2O3S2 — CID 4018637

IUPAC[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate
SMILESCN(C)C(=O)CSC(=S)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O3S2/c1-10(2)8(14)5-16-9(15)11-6(12)3-4-7(11)13/h3-5H2,1-2H3
InChIKeyINEUALUTFVFOJS-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.24
Rot. Bonds2

About [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate

[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate (PubChem CID 4018637) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate
PubChem CID4018637
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate
SMILESCN(C)C(=O)CSC(=S)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N2O3S2/c1-10(2)8(14)5-16-9(15)11-6(12)3-4-7(11)13/h3-5H2,1-2H3
InChIKeyINEUALUTFVFOJS-UHFFFAOYSA-N
XLogP0.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.24
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'}

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Related Compounds

2-(2,5-Dioxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
CID 3839879
Carbamic acid, dimethyldithio-, succinimidomethyl ester
CID 37977
2-Succinimidoethyl 1-pyrrolidinecarbodithioate
CID 575232
1-Methyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 15305425
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
1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
CID 102442170
1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
CID 102442172
1-(2-Oxopyrrolidin-1-yl)ethyl pyrrolidine-1-carbodithioate
CID 102442174
N-succinyl-S-acetylcysteamine
CID 129713559
5-(4-Oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-yl)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139237266
3-Butyl-5-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139237267

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate (CID 4018637) is [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate is CN(C)C(=O)CSC(=S)N1C(=O)CCC1=O.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate?
The InChIKey is INEUALUTFVFOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-10(2)8(14)5-16-9(15)11-6(12)3-4-7(11)13/h3-5H2,1-2H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate?
[2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate has a molecular weight of 260.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2,5-dioxopyrrolidine-1-carbodithioate is sourced from PubChem (CID 4018637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).