4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

C18H24N2O4S2 — CID 86265667

IUPAC4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)s1
InChIInChI=1S/C18H24N2O4S2/c1-4-16-5-6-18(25-16)26(22,23)20-9-7-14(8-10-20)24-15-11-13(2)19(3)17(21)12-15/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyHFKPYUWJFXCKBY-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.55
Rot. Bonds5

About 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265667) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265667
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCCc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)s1
InChIInChI=1S/C18H24N2O4S2/c1-4-16-5-6-18(25-16)26(22,23)20-9-7-14(8-10-20)24-15-11-13(2)19(3)17(21)12-15/h5-6,11-12,14H,4,7-10H2,1-3H3
InChIKeyHFKPYUWJFXCKBY-UHFFFAOYSA-N
XLogP2.55
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156421
4-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121182608
6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
CID 90629222
1-(5-ethylthiophen-2-yl)sulfonyl-4-methylpiperidine
CID 110755253
4-bromo-1-(5-ethylthiophen-2-yl)sulfonylpiperidine
CID 80673139
4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265671
1,6-dimethyl-4-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxypyridin-2-one
CID 121156442
3-chloro-2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyridine
CID 71798897
2-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560127
1-(5-ethylthiophen-2-yl)sulfonyl-4-[(4-fluorophenoxy)methyl]piperidine
CID 110639091
1-(1-cyclopropylethyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 110708849
4-[1-(2,5-difluorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265638

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265667) is 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is CCc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)s1.
What is the InChIKey of 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is HFKPYUWJFXCKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-4-16-5-6-18(25-16)26(22,23)20-9-7-14(8-10-20)24-15-11-13(2)19(3)17(21)12-15/h5-6,11-12,14H,4,7-10H2,1-3H3.
What are the key properties of 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 396.53 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).