[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

C19H28N2O4S — CID 110369501

IUPAC[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc(C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(C)CO2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-4-6-16(7-5-14)18-12-21(15(2)13-25-18)19(22)17-8-10-20(11-9-17)26(3,23)24/h4-7,15,17-18H,8-13H2,1-3H3
InChIKeyDKMXOGKZSNJVLX-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.96
Rot. Bonds3

About [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone

[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (PubChem CID 110369501) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
PubChem CID110369501
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc(C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(C)CO2)cc1
InChIInChI=1S/C19H28N2O4S/c1-14-4-6-16(7-5-14)18-12-21(15(2)13-25-18)19(22)17-8-10-20(11-9-17)26(3,23)24/h4-7,15,17-18H,8-13H2,1-3H3
InChIKeyDKMXOGKZSNJVLX-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369447
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
(1-methylsulfonylpiperidin-4-yl)-(5-phenyl-1,3-oxazolidin-3-yl)methanone
CID 110740447
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460
5-methyl-2-(4-methylphenyl)-N-propylmorpholine-4-carboxamide
CID 110369505
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
[3-(4-fluorophenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110663861
(2-methylpyrrolidin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110728182
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
[(2S,6R)-2-methyl-6-phenylpiperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 96535829
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 51320895
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone (CID 110369501) is [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is Cc1ccc(C2CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C(C)CO2)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DKMXOGKZSNJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-14-4-6-16(7-5-14)18-12-21(15(2)13-25-18)19(22)17-8-10-20(11-9-17)26(3,23)24/h4-7,15,17-18H,8-13H2,1-3H3.
What are the key properties of [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone?
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 110369501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).