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

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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).