6-thiophen-3-ylpiperidine-2-carboxylic acid

C10H13NO2S — CID 112698967

IUPAC6-thiophen-3-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2ccsc2)N1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-8(11-9)7-4-5-14-6-7/h4-6,8-9,11H,1-3H2,(H,12,13)
InChIKeyJTRDXEBZXWJYCG-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.02
Rot. Bonds2

About 6-thiophen-3-ylpiperidine-2-carboxylic acid

6-thiophen-3-ylpiperidine-2-carboxylic acid (PubChem CID 112698967) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 6-thiophen-3-ylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-thiophen-3-ylpiperidine-2-carboxylic acid
PubChem CID112698967
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name6-thiophen-3-ylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCC(c2ccsc2)N1
InChIInChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-8(11-9)7-4-5-14-6-7/h4-6,8-9,11H,1-3H2,(H,12,13)
InChIKeyJTRDXEBZXWJYCG-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
CID 107129376
6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid
CID 112574236
6-(4H-thieno[3,2-b]pyrrol-6-yl)piperidine-2-carboxylic acid
CID 82382749
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
6-[4-fluoro-3-(trifluoromethyl)phenyl]piperidine-2-carboxylic acid
CID 107290045
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
CID 112574328
3-thiophen-3-ylpiperidine-2-carboxylic acid
CID 165483668
5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441
(2R)-2-thiophen-3-ylaziridine
CID 172991225

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-3-ylpiperidine-2-carboxylic acid?
The IUPAC name of 6-thiophen-3-ylpiperidine-2-carboxylic acid (CID 112698967) is 6-thiophen-3-ylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-thiophen-3-ylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-thiophen-3-ylpiperidine-2-carboxylic acid is O=C(O)C1CCCC(c2ccsc2)N1.
What is the InChIKey of 6-thiophen-3-ylpiperidine-2-carboxylic acid?
The InChIKey is JTRDXEBZXWJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c12-10(13)9-3-1-2-8(11-9)7-4-5-14-6-7/h4-6,8-9,11H,1-3H2,(H,12,13).
What are the key properties of 6-thiophen-3-ylpiperidine-2-carboxylic acid?
6-thiophen-3-ylpiperidine-2-carboxylic acid has a molecular weight of 211.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-3-ylpiperidine-2-carboxylic acid is sourced from PubChem (CID 112698967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).