4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

C18H28N2O4S — CID 169307442

IUPAC4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCOC1(C)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C18H28N2O4S/c1-18(23-2)8-3-9-19(15-18)14-16-4-6-17(7-5-16)25(21,22)20-10-12-24-13-11-20/h4-7H,3,8-15H2,1-2H3
InChIKeyQNSKKKDURNUCNQ-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.71
Rot. Bonds5

About 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine

4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (PubChem CID 169307442) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
PubChem CID169307442
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
SMILESCOC1(C)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1
InChIInChI=1S/C18H28N2O4S/c1-18(23-2)8-3-9-19(15-18)14-16-4-6-17(7-5-16)25(21,22)20-10-12-24-13-11-20/h4-7H,3,8-15H2,1-2H3
InChIKeyQNSKKKDURNUCNQ-UHFFFAOYSA-N
XLogP1.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(3-fluoro-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307348
3-fluoro-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidin-3-amine
CID 170319766
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]aniline
CID 107390674
4-[4-[[3-methyl-3-(2-methylpropyl)azetidin-1-yl]methyl]phenyl]sulfonylmorpholine
CID 163259232
4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]benzoic acid
CID 107393386
4-[4-[(3-propan-2-ylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669176
(3R,4R)-4-ethyl-1-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3,4-diol
CID 70704257
4-[3-[(3-methoxy-3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 163257957
methyl 2-(4-morpholin-4-ylsulfonylphenyl)acetate
CID 559409
5-(3-methoxy-3-methylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 107394155
4-[4-[(3-methoxy-3-methylazetidin-1-yl)methyl]phenyl]sulfinylmorpholine
CID 163258019
4-[3-[(3,3-dimethylazetidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 169307366

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine (CID 169307442) is 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is COC1(C)CCCN(Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1.
What is the InChIKey of 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
The InChIKey is QNSKKKDURNUCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-18(23-2)8-3-9-19(15-18)14-16-4-6-17(7-5-16)25(21,22)20-10-12-24-13-11-20/h4-7H,3,8-15H2,1-2H3.
What are the key properties of 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine?
4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine has a molecular weight of 368.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 169307442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).