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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Related Compounds

1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
1-(2-fluoro-5-methylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 52588474
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
1-(2,5-difluorophenyl)sulfonyl-2-ethylpyrrolidine-2-carboxylic acid
CID 83059045
2-[4-(2-fluoro-5-methylphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 39626456
1-(5-ethyl-2-fluorophenyl)sulfonylpiperidine
CID 71106524
3-(2,5-dimethylpyrrolidin-1-yl)-1-(2-fluoro-5-methylphenyl)sulfonylpiperidine
CID 47811921
1-(2,5-difluorophenyl)sulfonyl-3-methylpyrrolidine-3-carboxylic acid
CID 63146157
2-[[1-(2-fluoro-5-methylphenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid;hydrochloride
CID 120727017
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(4aS,8aS)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482096

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).