3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione

C12H10N2O2S — CID 164563335

IUPAC3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2cnc3sccc3c2)C(=O)N1
InChIInChI=1S/C12H10N2O2S/c15-10-2-1-9(11(16)14-10)8-5-7-3-4-17-12(7)13-6-8/h3-6,9H,1-2H2,(H,14,15,16)
InChIKeyUCCIDVSAPJWZCR-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.82
Rot. Bonds1

About 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione

3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione (PubChem CID 164563335) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione
PubChem CID164563335
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione
SMILESO=C1CCC(c2cnc3sccc3c2)C(=O)N1
InChIInChI=1S/C12H10N2O2S/c15-10-2-1-9(11(16)14-10)8-5-7-3-4-17-12(7)13-6-8/h3-6,9H,1-2H2,(H,14,15,16)
InChIKeyUCCIDVSAPJWZCR-UHFFFAOYSA-N
XLogP1.82
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.82
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-(6-amino-3-pyridinyl)piperidine-2,6-dione;hydrochloride
CID 166552755
CID 177052361
CID 177052361
3-(5-methyl-3-pyridinyl)piperidine-2,6-dione
CID 167474889
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
ethane;3-(5-methylpyrimidin-2-yl)piperidine-2,6-dione
CID 171565294
3-(6-propan-2-ylpyridazin-4-yl)piperidine-2,6-dione
CID 168752475
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
3-[6-(1-ethyl-4-hydroxypiperidin-4-yl)quinolin-3-yl]piperidine-2,6-dione;2-methylpropane
CID 177016168

Frequently Asked Questions

What is the IUPAC name of 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione?
The IUPAC name of 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione (CID 164563335) is 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione?
The canonical SMILES for 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione is O=C1CCC(c2cnc3sccc3c2)C(=O)N1.
What is the InChIKey of 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione?
The InChIKey is UCCIDVSAPJWZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-10-2-1-9(11(16)14-10)8-5-7-3-4-17-12(7)13-6-8/h3-6,9H,1-2H2,(H,14,15,16).
What are the key properties of 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione?
3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione has a molecular weight of 246.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[2,3-b]pyridin-5-ylpiperidine-2,6-dione is sourced from PubChem (CID 164563335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).