4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine

C16H24N2O3S — CID 949593

IUPAC4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-14-2-4-16(5-3-14)22(19,20)18-8-6-15(7-9-18)17-10-12-21-13-11-17/h2-5,15H,6-13H2,1H3
InChIKeyKUVSJBQHHKBVOW-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.48
Rot. Bonds3

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

4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 949593) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID949593
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-14-2-4-16(5-3-14)22(19,20)18-8-6-15(7-9-18)17-10-12-21-13-11-17/h2-5,15H,6-13H2,1H3
InChIKeyKUVSJBQHHKBVOW-UHFFFAOYSA-N
XLogP1.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate
CID 17220
4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
1-Morpholino-2-(p-toluenesulfonyl)aminoethane
CID 567713
4-{1-[(3-Chloro-4-methylphenyl)sulfonyl]piperidin-3-yl}morpholine
CID 23723341
4-(1-Benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 660759
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-[3-(4-Methylphenyl)sulfonyl-2-morpholin-4-ylpropyl]morpholine
CID 2910405
3,5-dimethyl-4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
CID 44254219
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine (CID 949593) is 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine is Cc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is KUVSJBQHHKBVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-14-2-4-16(5-3-14)22(19,20)18-8-6-15(7-9-18)17-10-12-21-13-11-17/h2-5,15H,6-13H2,1H3.
What are the key properties of 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 324.45 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 949593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).