4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine

C16H23FN2O3S — CID 46390373

IUPAC4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-13-2-3-14(17)12-16(13)23(20,21)19-6-4-15(5-7-19)18-8-10-22-11-9-18/h2-3,12,15H,4-11H2,1H3
InChIKeyKIJYUEAUFSGOLN-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.62
Rot. Bonds3

About 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 46390373) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID46390373
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H23FN2O3S/c1-13-2-3-14(17)12-16(13)23(20,21)19-6-4-15(5-7-19)18-8-10-22-11-9-18/h2-3,12,15H,4-11H2,1H3
InChIKeyKIJYUEAUFSGOLN-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methylphenyl)sulfonyl-4-(oxolan-3-yl)piperazine
CID 71907976
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978245
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 110284731
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
1-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one
CID 58792736
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 46452449

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine (CID 46390373) is 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine is Cc1ccc(F)cc1S(=O)(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is KIJYUEAUFSGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-13-2-3-14(17)12-16(13)23(20,21)19-6-4-15(5-7-19)18-8-10-22-11-9-18/h2-3,12,15H,4-11H2,1H3.
What are the key properties of 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 342.44 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 46390373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).