3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol

C14H20FNO3S — CID 131943679

IUPAC3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
SMILESCCC1(O)CCCN(S(=O)(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-3-14(17)7-4-8-16(10-14)20(18,19)13-9-11(2)5-6-12(13)15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyCVGIYQHJBKXDBA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.06
Rot. Bonds3

About 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol

3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol (PubChem CID 131943679) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
PubChem CID131943679
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol
SMILESCCC1(O)CCCN(S(=O)(=O)c2cc(C)ccc2F)C1
InChIInChI=1S/C14H20FNO3S/c1-3-14(17)7-4-8-16(10-14)20(18,19)13-9-11(2)5-6-12(13)15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyCVGIYQHJBKXDBA-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol?
The IUPAC name of 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol (CID 131943679) is 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol.
What is the SMILES notation for 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol?
The canonical SMILES for 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol is CCC1(O)CCCN(S(=O)(=O)c2cc(C)ccc2F)C1.
What is the InChIKey of 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol?
The InChIKey is CVGIYQHJBKXDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-3-14(17)7-4-8-16(10-14)20(18,19)13-9-11(2)5-6-12(13)15/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol?
3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol has a molecular weight of 301.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-ol is sourced from PubChem (CID 131943679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).