6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid

C11H15NO2S — CID 112574236

IUPAC6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid
SMILESCc1ccc(C2CCCC(C(=O)O)N2)s1
InChIInChI=1S/C11H15NO2S/c1-7-5-6-10(15-7)8-3-2-4-9(12-8)11(13)14/h5-6,8-9,12H,2-4H2,1H3,(H,13,14)
InChIKeyFWSSWGTZIWNPFE-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.32
Rot. Bonds2

About 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid

6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid (PubChem CID 112574236) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid
PubChem CID112574236
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid
SMILESCc1ccc(C2CCCC(C(=O)O)N2)s1
InChIInChI=1S/C11H15NO2S/c1-7-5-6-10(15-7)8-3-2-4-9(12-8)11(13)14/h5-6,8-9,12H,2-4H2,1H3,(H,13,14)
InChIKeyFWSSWGTZIWNPFE-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(5-methylthiophen-2-yl)piperidine-2-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

5-(5-methylthiophen-2-yl)-1-oxo-1,4-thiazinane-3-carboxylic acid
CID 65170863
6-(3-fluoro-4-methylphenyl)piperidine-2-carboxylic acid
CID 107129376
6-(1,3-thiazol-5-yl)piperidine-2-carboxylic acid
CID 164650985
6-(4-fluoro-2-methylphenyl)piperidine-2-carboxylic acid
CID 112574456
6-thiophen-3-ylpiperidine-2-carboxylic acid
CID 112698967
6-(1-methyl-6,7-dihydro-5H-pyrrolizin-3-yl)piperidine-2-carboxylic acid
CID 82383334
(2R)-2-(5-methylthiophen-2-yl)piperidine
CID 7048171
5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 55271321
6-[(3,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 112574463
5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid
CID 112693441
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
6-(4-chloro-3-methoxyphenyl)piperidine-2-carboxylic acid
CID 112574328

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid (CID 112574236) is 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid is Cc1ccc(C2CCCC(C(=O)O)N2)s1.
What is the InChIKey of 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid?
The InChIKey is FWSSWGTZIWNPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7-5-6-10(15-7)8-3-2-4-9(12-8)11(13)14/h5-6,8-9,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid?
6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid has a molecular weight of 225.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylthiophen-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 112574236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).