ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate

C14H19NO2S — CID 103613536

IUPACethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)11-8-9-13(15-10-11)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyBVNGVGJRUKRTOK-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.68
Rot. Bonds4

About ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate

ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate (PubChem CID 103613536) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
PubChem CID103613536
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nameethyl 6-cyclohexylsulfanylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(SC2CCCCC2)nc1
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)11-8-9-13(15-10-11)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3
InChIKeyBVNGVGJRUKRTOK-UHFFFAOYSA-N
XLogP3.68
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate 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

ethyl 6-cyclopentylsulfanylpyridine-3-carboxylate
CID 103613537
6-cyclohexylsulfanylpyridine-3-carboximidamide
CID 60887032
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
ethyl 6-pyrazin-2-ylsulfanylpyridine-3-carboxylate
CID 114075140
ethyl 6-(2-methylcyclohexyl)oxypyridine-3-carboxylate
CID 114074875
ethyl 6-(2-ethylpiperidin-1-yl)pyridine-3-carboxylate
CID 103613521
ethyl 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboxylate
CID 103613540
ethyl 6-(3-methoxy-2-methyl-3-oxopropyl)sulfanylpyridine-3-carboxylate
CID 66116248
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 4-(cyclopentanecarbonyl)benzoate
CID 24724161
1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651798

Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate (CID 103613536) is ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate is CCOC(=O)c1ccc(SC2CCCCC2)nc1.
What is the InChIKey of ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate?
The InChIKey is BVNGVGJRUKRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-17-14(16)11-8-9-13(15-10-11)18-12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3.
What are the key properties of ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate?
ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate has a molecular weight of 265.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyclohexylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 103613536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).