4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine

C18H28N2O3S — CID 20975181

IUPAC4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-14-12-15(2)18(16(3)13-14)24(21,22)20-6-4-17(5-7-20)19-8-10-23-11-9-19/h12-13,17H,4-11H2,1-3H3
InChIKeyJURGUYXXFASPCS-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.10
Rot. Bonds3

About 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine

4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine (PubChem CID 20975181) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
PubChem CID20975181
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C18H28N2O3S/c1-14-12-15(2)18(16(3)13-14)24(21,22)20-6-4-17(5-7-20)19-8-10-23-11-9-19/h12-13,17H,4-11H2,1-3H3
InChIKeyJURGUYXXFASPCS-UHFFFAOYSA-N
XLogP2.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
4-(1-Benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 660759
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]azepane
CID 118308375
4-Phenyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308393
4-Benzyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308406
3,5-Dimethyl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308408
1-(Mesitylsulfonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 118308425
2-[1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]ethanol
CID 138627960
2,4,6-trimethyl-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]benzenesulfonamide
CID 146627892
1-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-ol
CID 146628071

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine (CID 20975181) is 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine is Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine?
The InChIKey is JURGUYXXFASPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-12-15(2)18(16(3)13-14)24(21,22)20-6-4-17(5-7-20)19-8-10-23-11-9-19/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine?
4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine has a molecular weight of 352.50 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 20975181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).