3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one

C14H17NO2S — CID 142460973

IUPAC3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one
SMILESC=C(C)c1ncc(OC2CC(=O)C2)cc1SCC
InChIInChI=1S/C14H17NO2S/c1-4-18-13-7-12(8-15-14(13)9(2)3)17-11-5-10(16)6-11/h7-8,11H,2,4-6H2,1,3H3
InChIKeyISUHFWFQMNHKIJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.34
Rot. Bonds5

About 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one

3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one (PubChem CID 142460973) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one.

Molecular Properties

Compound Name3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one
PubChem CID142460973
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one
SMILESC=C(C)c1ncc(OC2CC(=O)C2)cc1SCC
InChIInChI=1S/C14H17NO2S/c1-4-18-13-7-12(8-15-14(13)9(2)3)17-11-5-10(16)6-11/h7-8,11H,2,4-6H2,1,3H3
InChIKeyISUHFWFQMNHKIJ-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Fluoropropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
CID 142460929
5-(2-Fluoro-2-methylpropoxy)-3-methylsulfanyl-2-prop-1-en-2-ylpyridine
CID 142460964
7-Methoxythiopyranopyridon
CID 129646657
5-Cyclopropoxy-3-(methylthio)-2-(trifluoromethyl)pyridine
CID 72229896
3-Cyclopropoxy-5-(methylthio)-2-(trifluoromethyl)pyridine
CID 72230231
3-Ethylsulfanyl-5-(2-fluoro-2-methylpropoxy)pyridine
CID 172414599
3-(2-Fluoro-2-methylpropoxy)-5-propan-2-ylsulfanylpyridine
CID 172414610
3-(2-Fluoro-2-methylpropoxy)-5-propylsulfanylpyridine
CID 172414622
3-Tert-butylsulfanyl-5-(2-fluoro-2-methylpropoxy)pyridine
CID 172414629
2-Ethenyl-3-methylsulfanyl-5-phenoxypyridine
CID 59306205
5-Methylsulfanyl-3-propan-2-yloxypyridine-2-carbonitrile
CID 68100123
6-Methoxy-2-methyl-2,3-dihydrothieno[3,2-b]pyridine
CID 89069766

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one?
The IUPAC name of 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one (CID 142460973) is 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one.
What is the SMILES notation for 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one?
The canonical SMILES for 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one is C=C(C)c1ncc(OC2CC(=O)C2)cc1SCC.
What is the InChIKey of 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one?
The InChIKey is ISUHFWFQMNHKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-4-18-13-7-12(8-15-14(13)9(2)3)17-11-5-10(16)6-11/h7-8,11H,2,4-6H2,1,3H3.
What are the key properties of 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one?
3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylsulfanyl-6-prop-1-en-2-yl-3-pyridinyl)oxy]cyclobutan-1-one is sourced from PubChem (CID 142460973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).