3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine

C16H19ClN2O3S2 — CID 71798897

IUPAC3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)s1
InChIInChI=1S/C16H19ClN2O3S2/c1-2-13-5-6-15(23-13)24(20,21)19-10-7-12(8-11-19)22-16-14(17)4-3-9-18-16/h3-6,9,12H,2,7-8,10-11H2,1H3
InChIKeyFOJQXRHVMMHUDZ-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.59
Rot. Bonds5

About 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine

3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine (PubChem CID 71798897) has the molecular formula C16H19ClN2O3S2 and a molecular weight of 386.93 g/mol. Its IUPAC name is 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
PubChem CID71798897
Molecular FormulaC16H19ClN2O3S2
Molecular Weight386.93 g/mol
Exact Mass386.05
IUPAC Name3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)s1
InChIInChI=1S/C16H19ClN2O3S2/c1-2-13-5-6-15(23-13)24(20,21)19-10-7-12(8-11-19)22-16-14(17)4-3-9-18-16/h3-6,9,12H,2,7-8,10-11H2,1H3
InChIKeyFOJQXRHVMMHUDZ-UHFFFAOYSA-N
XLogP3.59
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249356
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265667
1-(5-ethylthiophen-2-yl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522198
5-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylazetidin-3-yl]oxypyridine
CID 122248560
3-(chloromethyl)-1-(5-ethylthiophen-2-yl)sulfonylpyrrolidine
CID 63400980
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 90494813
4-[(2-ethylimidazol-1-yl)methyl]-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 90494131
3-[1-(5-ethylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxy-1,2,5-thiadiazole
CID 126853878
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine?
The IUPAC name of 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine (CID 71798897) is 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine?
The canonical SMILES for 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine is CCc1ccc(S(=O)(=O)N2CCC(Oc3ncccc3Cl)CC2)s1.
What is the InChIKey of 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine?
The InChIKey is FOJQXRHVMMHUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3S2/c1-2-13-5-6-15(23-13)24(20,21)19-10-7-12(8-11-19)22-16-14(17)4-3-9-18-16/h3-6,9,12H,2,7-8,10-11H2,1H3.
What are the key properties of 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine?
3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine has a molecular weight of 386.93 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine is sourced from PubChem (CID 71798897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).