2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine

C19H23NO3S — CID 3831849

IUPAC2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)24(21,22)20-12-15(2)23-16(3)13-20/h4-11,15-16H,12-13H2,1-3H3
InChIKeyATMKMGKMMIUIRW-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.46
Rot. Bonds3

About 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine

2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine (PubChem CID 3831849) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine
PubChem CID3831849
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C19H23NO3S/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)24(21,22)20-12-15(2)23-16(3)13-20/h4-11,15-16H,12-13H2,1-3H3
InChIKeyATMKMGKMMIUIRW-UHFFFAOYSA-N
XLogP3.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-((4-Methylphenyl)sulphonyl)morpholine
CID 80645
4-{4''-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-biphenyl-4-sulfonyl}-morpholine
CID 24886365
4-methoxy-1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylpiperidine
CID 44254046
4-[4-[2-(3-Fluorophenyl)ethynyl]phenyl]sulfonylmorpholine
CID 60210914
1-Methyl-4-({4'-methyl-[1,1'-biphenyl]-4-yl}sulfonyl)piperazine
CID 889439
3,5-dimethyl-4-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]sulfonylmorpholine
CID 44254219
4-(4-Biphenylylsulfonyl)morpholine
CID 823364
4-[(2,4,5-Trimethylphenyl)sulfonyl]morpholine
CID 802296
N-(2-methoxyethyl)-4'-methyl-[1,1'-biphenyl]-4-sulfonamide
CID 2190160
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 2480420
4-(4-Isopropyl-benzenesulfonyl)-morpholine
CID 812402
4-((4-Cyclohexylphenyl)sulfonyl)morpholine
CID 747279

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine (CID 3831849) is 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine is Cc1ccc(-c2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine?
The InChIKey is ATMKMGKMMIUIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14-4-6-17(7-5-14)18-8-10-19(11-9-18)24(21,22)20-12-15(2)23-16(3)13-20/h4-11,15-16H,12-13H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine?
2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine has a molecular weight of 345.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-methylphenyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 3831849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).