[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone

C18H26N2O4S — CID 110677156

IUPAC[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S/c1-14-5-3-6-15(2)20(14)25(22,23)17-8-4-7-16(13-17)18(21)19-9-11-24-12-10-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3
InChIKeyXTJQGMKEUIPCJB-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.11
Rot. Bonds3

About [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone

[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone (PubChem CID 110677156) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
PubChem CID110677156
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
SMILESCC1CCCC(C)N1S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H26N2O4S/c1-14-5-3-6-15(2)20(14)25(22,23)17-8-4-7-16(13-17)18(21)19-9-11-24-12-10-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3
InChIKeyXTJQGMKEUIPCJB-UHFFFAOYSA-N
XLogP2.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 9295928
[4-[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55330142
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[4-(ethylaminomethyl)piperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone;hydrochloride
CID 119646595
[3-(1,4-oxazepan-4-ylsulfonyl)phenyl]-thiomorpholin-4-ylmethanone
CID 72916871

Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone (CID 110677156) is [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone is CC1CCCC(C)N1S(=O)(=O)c1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
The InChIKey is XTJQGMKEUIPCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-14-5-3-6-15(2)20(14)25(22,23)17-8-4-7-16(13-17)18(21)19-9-11-24-12-10-19/h4,7-8,13-15H,3,5-6,9-12H2,1-2H3.
What are the key properties of [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone?
[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone has a molecular weight of 366.48 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110677156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).