1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate

C12H20N2OS2 — CID 71665146

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate
SMILESCC(SC(=S)N1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H20N2OS2/c1-10(14-9-5-6-11(14)15)17-12(16)13-7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeyWVARODVJYDBOFQ-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate

1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate (PubChem CID 71665146) has the molecular formula C12H20N2OS2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate
PubChem CID71665146
Molecular FormulaC12H20N2OS2
Molecular Weight272.44 g/mol
Exact Mass272.10
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate
SMILESCC(SC(=S)N1CCCCC1)N1CCCC1=O
InChIInChI=1S/C12H20N2OS2/c1-10(14-9-5-6-11(14)15)17-12(16)13-7-3-2-4-8-13/h10H,2-9H2,1H3
InChIKeyWVARODVJYDBOFQ-UHFFFAOYSA-N
XLogP2.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
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
1-(2-Oxopyrrolidin-1-yl)ethyl azepane-1-carbodithioate
CID 102442176
2-(2-Oxopyrrolidin-1-yl)ethyl 4-methylpiperazine-1-carbodithioate
CID 751799
3-Pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220059
2-Ethyl-4,8-dimethyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 22097515
Methyl 4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbodithioate
CID 126603009
1-(4-Methyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 169645166
2-(2-Oxo-1-pyrrolidinyl)ethyl 1-azepanecarbodithioate
CID 754226
2-(2-Oxopyrrolidin-1-yl)ethyl thiomorpholine-4-carbodithioate
CID 1384261

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate (CID 71665146) is 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate is CC(SC(=S)N1CCCCC1)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate?
The InChIKey is WVARODVJYDBOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS2/c1-10(14-9-5-6-11(14)15)17-12(16)13-7-3-2-4-8-13/h10H,2-9H2,1H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate?
1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate has a molecular weight of 272.44 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)ethyl piperidine-1-carbodithioate is sourced from PubChem (CID 71665146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).