(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

C22H34N2O4S — CID 71830284

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c1C
InChIInChI=1S/C22H34N2O4S/c1-14-11-15(2)19(6)21(18(14)5)29(26,27)24-9-7-20(8-10-24)22(25)23-12-16(3)28-17(4)13-23/h11,16-17,20H,7-10,12-13H2,1-6H3
InChIKeyZEQHBEBKYBRTQM-UHFFFAOYSA-N
MW422.59 g/mol
LogP2.96
Rot. Bonds3

About (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 71830284) has the molecular formula C22H34N2O4S and a molecular weight of 422.59 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID71830284
Molecular FormulaC22H34N2O4S
Molecular Weight422.59 g/mol
Exact Mass422.22
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c1C
InChIInChI=1S/C22H34N2O4S/c1-14-11-15(2)19(6)21(18(14)5)29(26,27)24-9-7-20(8-10-24)22(25)23-12-16(3)28-17(4)13-23/h11,16-17,20H,7-10,12-13H2,1-6H3
InChIKeyZEQHBEBKYBRTQM-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.59
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409749
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 1190402
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25395281
(4-methylsulfonyl-1,4-diazepan-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24667244
N,N-diethyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxamide
CID 34217987
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
cyclopropyl-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110797136
(4-phenylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 39580157
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46407466
(3S,4S)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135107188
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17478504
[4-(3-methylphenyl)piperazin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24542911

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 71830284) is (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CC(C)OC(C)C3)CC2)c1C.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is ZEQHBEBKYBRTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4S/c1-14-11-15(2)19(6)21(18(14)5)29(26,27)24-9-7-20(8-10-24)22(25)23-12-16(3)28-17(4)13-23/h11,16-17,20H,7-10,12-13H2,1-6H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 422.59 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 71830284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).