(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol

C14H21NOS — CID 124501600

IUPAC(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
SMILESCc1cc([C@@H](C)O)cnc1SC1CCCCC1
InChIInChI=1S/C14H21NOS/c1-10-8-12(11(2)16)9-15-14(10)17-13-6-4-3-5-7-13/h8-9,11,13,16H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyUFQDOEGDESGEGQ-LLVKDONJSA-N
MW251.39 g/mol
LogP3.87
Rot. Bonds3

About (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol

(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol (PubChem CID 124501600) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
PubChem CID124501600
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
SMILESCc1cc([C@@H](C)O)cnc1SC1CCCCC1
InChIInChI=1S/C14H21NOS/c1-10-8-12(11(2)16)9-15-14(10)17-13-6-4-3-5-7-13/h8-9,11,13,16H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyUFQDOEGDESGEGQ-LLVKDONJSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanamine
CID 102545029
2-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol
CID 102545034
5-methyl-6-(3-methylcyclohexyl)sulfanylpyridin-3-amine
CID 62721519
1-(3-chloro-4-cyclohexylsulfanylphenyl)ethanol
CID 63835939
(1R)-1-(4-cyclopentylsulfanyl-3-fluorophenyl)ethanol
CID 78951666
N-[[5-methyl-6-(oxetan-3-ylsulfanyl)-3-pyridinyl]methyl]propan-2-amine
CID 80650758
(1R)-1-(6-cyclohexylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503041
1-(6-methoxy-5-methyl-3-pyridinyl)ethanol
CID 102544501
(1R)-1-[6-(dimethylamino)-5-methyl-3-pyridinyl]ethanol
CID 124501239
1-(4-bromo-2-cyclohexylsulfanylphenyl)ethanol
CID 82973779
2-cycloheptylsulfanyl-4,6-dimethylpyridine-3-carboxylic acid
CID 82925766
(1R)-1-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanol
CID 124501485

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The IUPAC name of (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol (CID 124501600) is (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol is Cc1cc([C@@H](C)O)cnc1SC1CCCCC1.
What is the InChIKey of (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
The InChIKey is UFQDOEGDESGEGQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-8-12(11(2)16)9-15-14(10)17-13-6-4-3-5-7-13/h8-9,11,13,16H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol?
(1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol has a molecular weight of 251.39 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-cyclohexylsulfanyl-5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 124501600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).