[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate

C14H15NO4S — CID 8934192

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C14H15NO4S/c1-20-11-6-3-2-5-10(11)14(18)19-9-13(17)15-8-4-7-12(15)16/h2-3,5-6H,4,7-9H2,1H3
InChIKeyCGETXGLQOUUYNP-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.71
Rot. Bonds4

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate (PubChem CID 8934192) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate
PubChem CID8934192
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate
SMILESCSc1ccccc1C(=O)OCC(=O)N1CCCC1=O
InChIInChI=1S/C14H15NO4S/c1-20-11-6-3-2-5-10(11)14(18)19-9-13(17)15-8-4-7-12(15)16/h2-3,5-6H,4,7-9H2,1H3
InChIKeyCGETXGLQOUUYNP-UHFFFAOYSA-N
XLogP1.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate (CID 8934192) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate is CSc1ccccc1C(=O)OCC(=O)N1CCCC1=O.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate?
The InChIKey is CGETXGLQOUUYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-20-11-6-3-2-5-10(11)14(18)19-9-13(17)15-8-4-7-12(15)16/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate has a molecular weight of 293.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-methylsulfanylbenzoate is sourced from PubChem (CID 8934192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).