4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine

C14H21NO4S — CID 110369636

IUPAC4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
SMILESCCS(=O)(=O)N1CC(c2ccc(OC)cc2)OCC1C
InChIInChI=1S/C14H21NO4S/c1-4-20(16,17)15-9-14(19-10-11(15)2)12-5-7-13(18-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyVXJUUTOJJVDSJM-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.81
Rot. Bonds4

About 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine

4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine (PubChem CID 110369636) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine.

Molecular Properties

Compound Name4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
PubChem CID110369636
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
SMILESCCS(=O)(=O)N1CC(c2ccc(OC)cc2)OCC1C
InChIInChI=1S/C14H21NO4S/c1-4-20(16,17)15-9-14(19-10-11(15)2)12-5-7-13(18-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyVXJUUTOJJVDSJM-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 110369570
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
CID 110369509
4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
1-adamantyl-[2-(4-methoxyphenyl)-5-methylmorpholin-4-yl]methanone
CID 110369629
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
4-[2-(4-methoxyphenyl)ethylsulfonyl]-2-(4-methylphenyl)morpholine
CID 121134912

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine?
The IUPAC name of 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine (CID 110369636) is 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine.
What is the SMILES notation for 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine?
The canonical SMILES for 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine is CCS(=O)(=O)N1CC(c2ccc(OC)cc2)OCC1C.
What is the InChIKey of 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine?
The InChIKey is VXJUUTOJJVDSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-4-20(16,17)15-9-14(19-10-11(15)2)12-5-7-13(18-3)8-6-12/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine?
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine is sourced from PubChem (CID 110369636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).