5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid

C11H11NO4S — CID 28930849

IUPAC5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(N2C(=O)CCCC2=O)sc1C(=O)O
InChIInChI=1S/C11H11NO4S/c1-6-5-9(17-10(6)11(15)16)12-7(13)3-2-4-8(12)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyUUSYHLDSWWZVND-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.80
Rot. Bonds2

About 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid

5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid (PubChem CID 28930849) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid
PubChem CID28930849
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(N2C(=O)CCCC2=O)sc1C(=O)O
InChIInChI=1S/C11H11NO4S/c1-6-5-9(17-10(6)11(15)16)12-7(13)3-2-4-8(12)14/h5H,2-4H2,1H3,(H,15,16)
InChIKeyUUSYHLDSWWZVND-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(3-methyl-2,5-dioxopyrrolidin-1-yl)thiophene-2-carboxylic acid
CID 61037559
5-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylthiophene-2-carboxylic acid
CID 43437159
5-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylthiophene-2-carboxylic acid
CID 43437158
5-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-3-methylthiophene-2-carboxylic acid
CID 16791755
3-methyl-5-morpholin-4-ylthiophene-2-carboxylic acid
CID 68518867
3,5-dimethylthiophene-2-carboxylic acid
CID 819558
5-formyl-3-methylthiophene-2-carboxylic acid
CID 82412510
3-methyl-5-phosphanylthiophene-2-carboxylic acid
CID 58094814
5-(1,3-dioxol-2-yl)-3-methylthiophene-2-carboxylic acid
CID 141266786
1-(4-bromo-3,5-dimethylphenyl)piperidine-2,6-dione
CID 107575196
3-methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 121224668

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid (CID 28930849) is 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid is Cc1cc(N2C(=O)CCCC2=O)sc1C(=O)O.
What is the InChIKey of 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid?
The InChIKey is UUSYHLDSWWZVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-6-5-9(17-10(6)11(15)16)12-7(13)3-2-4-8(12)14/h5H,2-4H2,1H3,(H,15,16).
What are the key properties of 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid?
5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dioxopiperidin-1-yl)-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 28930849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).