4-cyclohexylsulfanylpyridine-2-carboxylic acid

C12H15NO2S — CID 60872683

IUPAC4-cyclohexylsulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCCC2)ccn1
InChIInChI=1S/C12H15NO2S/c14-12(15)11-8-10(6-7-13-11)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)
InChIKeySNEMOUVJYFDWHO-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.20
Rot. Bonds3

About 4-cyclohexylsulfanylpyridine-2-carboxylic acid

4-cyclohexylsulfanylpyridine-2-carboxylic acid (PubChem CID 60872683) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-cyclohexylsulfanylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexylsulfanylpyridine-2-carboxylic acid
PubChem CID60872683
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name4-cyclohexylsulfanylpyridine-2-carboxylic acid
SMILESO=C(O)c1cc(SC2CCCCC2)ccn1
InChIInChI=1S/C12H15NO2S/c14-12(15)11-8-10(6-7-13-11)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15)
InChIKeySNEMOUVJYFDWHO-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-hydroxycyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79553888
4-(3-ethylcyclohexyl)sulfanylpyridine-2-carboxylic acid
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4-(3,4-dimethylcyclohexyl)sulfanylpyridine-2-carboxylic acid
CID 79555148
4-cyclohexyloxypyridine-2-carboxylic acid
CID 43142909
4-(1-ethyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-2-carboxylic acid
CID 79555139
4-cyclohexylsulfanylthiophene-2-carboxylic acid
CID 79149674
4-(trifluoromethylsulfanyl)pyridine-2-carboxylic acid
CID 79554205
4-cyclopentylsulfanylpyrimidine-2-carboxylic acid
CID 130588092
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyridine-2-carboxylic acid
CID 102726689
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
4-[2-(oxolan-2-yl)ethylsulfanyl]pyridine-2-carboxylic acid
CID 79554128
4-(1-amino-1-oxopropan-2-yl)sulfanylpyridine-2-carboxylic acid
CID 79554707

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanylpyridine-2-carboxylic acid?
The IUPAC name of 4-cyclohexylsulfanylpyridine-2-carboxylic acid (CID 60872683) is 4-cyclohexylsulfanylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-cyclohexylsulfanylpyridine-2-carboxylic acid?
The canonical SMILES for 4-cyclohexylsulfanylpyridine-2-carboxylic acid is O=C(O)c1cc(SC2CCCCC2)ccn1.
What is the InChIKey of 4-cyclohexylsulfanylpyridine-2-carboxylic acid?
The InChIKey is SNEMOUVJYFDWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-12(15)11-8-10(6-7-13-11)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,14,15).
What are the key properties of 4-cyclohexylsulfanylpyridine-2-carboxylic acid?
4-cyclohexylsulfanylpyridine-2-carboxylic acid has a molecular weight of 237.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanylpyridine-2-carboxylic acid is sourced from PubChem (CID 60872683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).