6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione

C12H17NOS — CID 102593989

IUPAC6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione
SMILESCc1cc(C2CCCCC2)n(O)c(=S)c1
InChIInChI=1S/C12H17NOS/c1-9-7-11(13(14)12(15)8-9)10-5-3-2-4-6-10/h7-8,10,14H,2-6H2,1H3
InChIKeyJMPMDUGNEAIVJF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.81
Rot. Bonds1

About 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione

6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione (PubChem CID 102593989) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione
PubChem CID102593989
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione
SMILESCc1cc(C2CCCCC2)n(O)c(=S)c1
InChIInChI=1S/C12H17NOS/c1-9-7-11(13(14)12(15)8-9)10-5-3-2-4-6-10/h7-8,10,14H,2-6H2,1H3
InChIKeyJMPMDUGNEAIVJF-UHFFFAOYSA-N
XLogP3.81
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-cyclobutyl-1-hydroxy-4-methylpyridin-2-one
CID 155516672
bis(2-aminoethanol);cyclohexanol;tris(6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one)
CID 174864587
1,3-dicyclohexyl-2,5-dimethylbenzene
CID 91568948
(2,4,6-trimethylphenyl)cyclododecane
CID 123823481
6-cyclohexyl-5-deuterio-4-(deuteriomethyl)-1-hydroxypyridin-2-one
CID 54761144
(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) 2-methylpropanoate
CID 54759674
6-cyclohexyl-1-hydroxy-4-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 139553642
6-cyclohexyl-4-methyl-1-propoxypyridin-2-one
CID 163530033
methyl 2-[(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl)oxy]acetate
CID 155525711
2-azanidylethanolate;6-cyclohexyl-4-methyl-1-oxidopyridin-2-one;iron(3+)
CID 78427510
6-cycloheptyl-1-[1-(2-hydroxypropan-2-ylamino)ethoxy]-4-methylpyridin-2-one
CID 155198756
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione (CID 102593989) is 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione is Cc1cc(C2CCCCC2)n(O)c(=S)c1.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione?
The InChIKey is JMPMDUGNEAIVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-7-11(13(14)12(15)8-9)10-5-3-2-4-6-10/h7-8,10,14H,2-6H2,1H3.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione?
6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione has a molecular weight of 223.34 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-methylpyridine-2-thione is sourced from PubChem (CID 102593989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).