[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone

C18H26N2O2S — CID 111375863

IUPAC[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccnc1SCC1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C18H26N2O2S/c21-15-8-5-11-20(12-15)18(22)16-9-4-10-19-17(16)23-13-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2
InChIKeyYALYJUNPOYAWNE-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.35
Rot. Bonds4

About [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone

[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 111375863) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
PubChem CID111375863
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cccnc1SCC1CCCCC1)N1CCCC(O)C1
InChIInChI=1S/C18H26N2O2S/c21-15-8-5-11-20(12-15)18(22)16-9-4-10-19-17(16)23-13-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2
InChIKeyYALYJUNPOYAWNE-UHFFFAOYSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(cyclohexylmethylsulfanyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86957352
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
CID 110932062
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
2-(cyclohexylmethylsulfanyl)-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433504
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 78919070
ethyl (3R)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-3-carboxylate
CID 81338802

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone (CID 111375863) is [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone is O=C(c1cccnc1SCC1CCCCC1)N1CCCC(O)C1.
What is the InChIKey of [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is YALYJUNPOYAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-15-8-5-11-20(12-15)18(22)16-9-4-10-19-17(16)23-13-14-6-2-1-3-7-14/h4,9-10,14-15,21H,1-3,5-8,11-13H2.
What are the key properties of [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone?
[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 334.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 111375863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).