2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol

C14H21NOS — CID 102545034

IUPAC2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
SMILESCc1cc(CCO)cnc1SC1CCCCC1
InChIInChI=1S/C14H21NOS/c1-11-9-12(7-8-16)10-15-14(11)17-13-5-3-2-4-6-13/h9-10,13,16H,2-8H2,1H3
InChIKeyTUBNERUILAEODG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.35
Rot. Bonds4

About 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol

2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol (PubChem CID 102545034) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
PubChem CID102545034
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
SMILESCc1cc(CCO)cnc1SC1CCCCC1
InChIInChI=1S/C14H21NOS/c1-11-9-12(7-8-16)10-15-14(11)17-13-5-3-2-4-6-13/h9-10,13,16H,2-8H2,1H3
InChIKeyTUBNERUILAEODG-UHFFFAOYSA-N
XLogP3.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
CID 124501600
1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
CID 102545029
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
1-[6-(cyclopentylmethylsulfanyl)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80650745
2-cycloheptylsulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 82925766
2-[cyclohexyl-[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]methyl]-4-(2-hydroxyethyl)-6-methylphenol
CID 23520884
3-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]sulfanyl]propan-1-ol
CID 80651203
2-(5-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 102544856
(5-methyl-6-propan-2-ylsulfanyl-3-pyridinyl)methanol
CID 80651280
5-methyl-6-(oxetan-3-ylsulfanyl)pyridine-3-carbaldehyde
CID 80640287
[6-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-3-pyridinyl]methanol
CID 80639648

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol (CID 102545034) is 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol is Cc1cc(CCO)cnc1SC1CCCCC1.
What is the InChIKey of 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The InChIKey is TUBNERUILAEODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-11-9-12(7-8-16)10-15-14(11)17-13-5-3-2-4-6-13/h9-10,13,16H,2-8H2,1H3.
What are the key properties of 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol has a molecular weight of 251.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 102545034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).