[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

C19H21ClN2O2S — CID 58211437

IUPAC[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cccc(SCc2cccc(C(=O)N3CCC(O)CC3)n2)c1Cl
InChIInChI=1S/C19H21ClN2O2S/c1-13-4-2-7-17(18(13)20)25-12-14-5-3-6-16(21-14)19(24)22-10-8-15(23)9-11-22/h2-7,15,23H,8-12H2,1H3
InChIKeyFWUQFXOJFQMEQH-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.93
Rot. Bonds4

About [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone

[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 58211437) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID58211437
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cccc(SCc2cccc(C(=O)N3CCC(O)CC3)n2)c1Cl
InChIInChI=1S/C19H21ClN2O2S/c1-13-4-2-7-17(18(13)20)25-12-14-5-3-6-16(21-14)19(24)22-10-8-15(23)9-11-22/h2-7,15,23H,8-12H2,1H3
InChIKeyFWUQFXOJFQMEQH-UHFFFAOYSA-N
XLogP3.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 58211679
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211273
[6-[(2,3-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58210803
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210845
azepan-1-yl-[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 58210853
[6-[(2,6-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 58211130
azepan-1-yl-[6-[(2,6-dichlorophenyl)sulfanylmethyl]-2-pyridinyl]methanone
CID 11990096
[6-[(2,5-dichloro-4-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone
CID 58210539
6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-N-(4-methylcyclohexyl)pyridine-2-carboxamide;1-[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]pyridine-2-carbonyl]piperidine-3-carboxamide;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone;[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 160901423
[6-[(3,5-dimethylcyclohexyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211721
[6-[(2,4-dimethylphenyl)sulfanylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 58211225
(3-hydroxypyrrolidin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62917922

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone (CID 58211437) is [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is Cc1cccc(SCc2cccc(C(=O)N3CCC(O)CC3)n2)c1Cl.
What is the InChIKey of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is FWUQFXOJFQMEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c1-13-4-2-7-17(18(13)20)25-12-14-5-3-6-16(21-14)19(24)22-10-8-15(23)9-11-22/h2-7,15,23H,8-12H2,1H3.
What are the key properties of [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone?
[6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 376.91 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-3-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 58211437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).