4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine

C15H21FN2O3S — CID 46390372

IUPAC4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-2-1-3-15(12-13)22(19,20)18-6-4-14(5-7-18)17-8-10-21-11-9-17/h1-3,12,14H,4-11H2
InChIKeyXJJLBICRCIHTGA-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.31
Rot. Bonds3

About 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 46390372) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID46390372
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H21FN2O3S/c16-13-2-1-3-15(12-13)22(19,20)18-6-4-14(5-7-18)17-8-10-21-11-9-17/h1-3,12,14H,4-11H2
InChIKeyXJJLBICRCIHTGA-UHFFFAOYSA-N
XLogP1.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
1-[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 2911262
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
4-[3-(2-Methylpiperidin-1-ylsulfonyl)benzenesulfonyl]morpholine
CID 3214675
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
1'-[3-(Morpholine-4-sulfonyl)-benzenesulfonyl]-[1,4']bipiperidinyl
CID 654106
4-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715057
4-{1-[(4-Fluorophenyl)sulfonyl]-4-piperidinyl}-2,6-dimethylmorpholine oxalate
CID 2911606
3-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57400351

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine (CID 46390372) is 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine is O=S(=O)(c1cccc(F)c1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is XJJLBICRCIHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c16-13-2-1-3-15(12-13)22(19,20)18-6-4-14(5-7-18)17-8-10-21-11-9-17/h1-3,12,14H,4-11H2.
What are the key properties of 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 328.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 46390372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).