2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

C13H17NO3S — CID 82092277

IUPAC2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCc1cccc(CC)c1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C13H17NO3S/c1-3-10-6-5-7-11(4-2)13(10)14-12(15)8-9-18(14,16)17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZIMDAVIJEKKZGM-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.88
Rot. Bonds3

About 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one

2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82092277) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82092277
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCCc1cccc(CC)c1N1C(=O)CCS1(=O)=O
InChIInChI=1S/C13H17NO3S/c1-3-10-6-5-7-11(4-2)13(10)14-12(15)8-9-18(14,16)17/h5-7H,3-4,8-9H2,1-2H3
InChIKeyZIMDAVIJEKKZGM-UHFFFAOYSA-N
XLogP1.88
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one (CID 82092277) is 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is CCc1cccc(CC)c1N1C(=O)CCS1(=O)=O.
What is the InChIKey of 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is ZIMDAVIJEKKZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-10-6-5-7-11(4-2)13(10)14-12(15)8-9-18(14,16)17/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one?
2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 267.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82092277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).