methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate

C14H19NO4S — CID 71252862

IUPACmethyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H19NO4S/c1-14(2,15-9-4-10-20(15,17)18)12-7-5-11(6-8-12)13(16)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyZCKJTZVHKUYNTK-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.74
Rot. Bonds3

About methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate

methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate (PubChem CID 71252862) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
PubChem CID71252862
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Namemethyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate
SMILESCOC(=O)c1ccc(C(C)(C)N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H19NO4S/c1-14(2,15-9-4-10-20(15,17)18)12-7-5-11(6-8-12)13(16)19-3/h5-8H,4,9-10H2,1-3H3
InChIKeyZCKJTZVHKUYNTK-UHFFFAOYSA-N
XLogP1.74
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 167529344
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methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
CID 67391169
CID 67391169
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methyl 4-[2-(hydroxyamino)propan-2-yl]benzoate
CID 10330711
methyl 4-[4-(4-methoxycarbonylphenyl)-3,4-dimethylhexan-3-yl]benzoate
CID 139675985
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
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CID 122488284

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate?
The IUPAC name of methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate (CID 71252862) is methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate.
What is the SMILES notation for methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate?
The canonical SMILES for methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate is COC(=O)c1ccc(C(C)(C)N2CCCS2(=O)=O)cc1.
What is the InChIKey of methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate?
The InChIKey is ZCKJTZVHKUYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2,15-9-4-10-20(15,17)18)12-7-5-11(6-8-12)13(16)19-3/h5-8H,4,9-10H2,1-3H3.
What are the key properties of methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate?
methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate has a molecular weight of 297.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)propan-2-yl]benzoate is sourced from PubChem (CID 71252862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).