2-thiophen-2-ylcyclohexane-1-carboxylic acid

C11H14O2S — CID 79014995

IUPAC2-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1cccs1
InChIInChI=1S/C11H14O2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2,(H,12,13)
InChIKeyJLPDCYASLYPTFN-UHFFFAOYSA-N
MW210.30 g/mol
LogP3.11
Rot. Bonds2

About 2-thiophen-2-ylcyclohexane-1-carboxylic acid

2-thiophen-2-ylcyclohexane-1-carboxylic acid (PubChem CID 79014995) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-thiophen-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-thiophen-2-ylcyclohexane-1-carboxylic acid
PubChem CID79014995
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-thiophen-2-ylcyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1c1cccs1
InChIInChI=1S/C11H14O2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2,(H,12,13)
InChIKeyJLPDCYASLYPTFN-UHFFFAOYSA-N
XLogP3.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-thiophen-2-ylcyclopentane-1-carboxylic acid
CID 81008433
2-(2-thiophen-2-ylcyclohexyl)propanoic acid
CID 82243540
(3S,4R)-4-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 96621498
2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 112716942
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
(2S,3S)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxylic acid
CID 82394638
2-[methyl(thiophen-2-ylmethyl)amino]cycloheptane-1-carboxylic acid
CID 55145752
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
(2S,3S)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034970
(2S,3R)-5-oxo-2-thiophen-2-yloxolane-3-carboxylic acid
CID 97034968
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-thiophen-2-ylcyclohexane-1-carboxylic acid (CID 79014995) is 2-thiophen-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-thiophen-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-thiophen-2-ylcyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1c1cccs1.
What is the InChIKey of 2-thiophen-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is JLPDCYASLYPTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c12-11(13)9-5-2-1-4-8(9)10-6-3-7-14-10/h3,6-9H,1-2,4-5H2,(H,12,13).
What are the key properties of 2-thiophen-2-ylcyclohexane-1-carboxylic acid?
2-thiophen-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 210.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 79014995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).