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

C10H13NO4S — CID 82235170

IUPAC3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid
SMILESO=C1CCCC(=O)N1C1(C(=O)O)CCSC1
InChIInChI=1S/C10H13NO4S/c12-7-2-1-3-8(13)11(7)10(9(14)15)4-5-16-6-10/h1-6H2,(H,14,15)
InChIKeySTIVQMMSOSEMIM-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.49
Rot. Bonds2

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

3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid (PubChem CID 82235170) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid
PubChem CID82235170
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid
SMILESO=C1CCCC(=O)N1C1(C(=O)O)CCSC1
InChIInChI=1S/C10H13NO4S/c12-7-2-1-3-8(13)11(7)10(9(14)15)4-5-16-6-10/h1-6H2,(H,14,15)
InChIKeySTIVQMMSOSEMIM-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-oxoazepan-1-yl)thiolane-3-carboxylic acid
CID 82235142
3-(azocan-1-yl)thiolane-3-carboxylic acid
CID 82235043
4-(2,7-dioxoazepan-1-yl)oxane-4-carboxylic acid
CID 78969588
3-(3-oxopiperazin-1-yl)thiolane-3-carboxylic acid
CID 82235032
3-(4,5-dimethylimidazol-1-yl)thiolane-3-carboxylic acid
CID 82235801
3-(4-methoxypiperidin-1-yl)thiolane-3-carboxylic acid
CID 82236433
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
3-(1,2,4-triazol-1-yl)thiolane-3-carboxylic acid
CID 82235107
3-(2-oxopyrimidin-1-yl)thiane-3-carboxylic acid
CID 82235928
4-(3,5-dimethyl-1,2,4-triazol-1-yl)thiane-4-carboxylic acid
CID 82235209
3-(4,5-dimethylimidazol-1-yl)thiane-3-carboxylic acid
CID 82235944
4-morpholin-4-ylthiane-4-carboxylic acid
CID 61339323

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid?
The IUPAC name of 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid (CID 82235170) is 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid.
What is the SMILES notation for 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid?
The canonical SMILES for 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid is O=C1CCCC(=O)N1C1(C(=O)O)CCSC1.
What is the InChIKey of 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid?
The InChIKey is STIVQMMSOSEMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-7-2-1-3-8(13)11(7)10(9(14)15)4-5-16-6-10/h1-6H2,(H,14,15).
What are the key properties of 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid?
3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dioxopiperidin-1-yl)thiolane-3-carboxylic acid is sourced from PubChem (CID 82235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).