1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate

C11H20N2OS2 — CID 102442172

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(C)N1CCCC1=O
InChIInChI=1S/C11H20N2OS2/c1-4-12(5-2)11(15)16-9(3)13-8-6-7-10(13)14/h9H,4-8H2,1-3H3
InChIKeySVZVQXJZOCIGTD-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.31
Rot. Bonds4

About 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate

1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate (PubChem CID 102442172) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
PubChem CID102442172
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate
SMILESCCN(CC)C(=S)SC(C)N1CCCC1=O
InChIInChI=1S/C11H20N2OS2/c1-4-12(5-2)11(15)16-9(3)13-8-6-7-10(13)14/h9H,4-8H2,1-3H3
InChIKeySVZVQXJZOCIGTD-UHFFFAOYSA-N
XLogP2.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate (CID 102442172) is 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate is CCN(CC)C(=S)SC(C)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate?
The InChIKey is SVZVQXJZOCIGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c1-4-12(5-2)11(15)16-9(3)13-8-6-7-10(13)14/h9H,4-8H2,1-3H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate?
1-(2-oxopyrrolidin-1-yl)ethyl N,N-diethylcarbamodithioate has a molecular weight of 260.43 g/mol, XLogP of 2.31, 4 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 N,N-diethylcarbamodithioate is sourced from PubChem (CID 102442172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).