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

C9H16N2OS2 — CID 102442170

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
SMILESCC(SC(=S)N(C)C)N1CCCC1=O
InChIInChI=1S/C9H16N2OS2/c1-7(14-9(13)10(2)3)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3
InChIKeyUAVNPGPYNLRZJC-UHFFFAOYSA-N
MW232.37 g/mol
LogP1.53
Rot. Bonds2

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

1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate (PubChem CID 102442170) has the molecular formula C9H16N2OS2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
PubChem CID102442170
Molecular FormulaC9H16N2OS2
Molecular Weight232.37 g/mol
Exact Mass232.07
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate
SMILESCC(SC(=S)N(C)C)N1CCCC1=O
InChIInChI=1S/C9H16N2OS2/c1-7(14-9(13)10(2)3)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3
InChIKeyUAVNPGPYNLRZJC-UHFFFAOYSA-N
XLogP1.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 51.53
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-dimethylcarbamodithioate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate (CID 102442170) is 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate is CC(SC(=S)N(C)C)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate?
The InChIKey is UAVNPGPYNLRZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS2/c1-7(14-9(13)10(2)3)11-6-4-5-8(11)12/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate?
1-(2-oxopyrrolidin-1-yl)ethyl N,N-dimethylcarbamodithioate has a molecular weight of 232.37 g/mol, XLogP of 1.53, 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 N,N-dimethylcarbamodithioate is sourced from PubChem (CID 102442170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).