5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine

C13H19NO3S — CID 110369509

IUPAC5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
SMILESCc1ccc(C2CN(S(C)(=O)=O)C(C)CO2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-4-6-12(7-5-10)13-8-14(18(3,15)16)11(2)9-17-13/h4-7,11,13H,8-9H2,1-3H3
InChIKeyPXKKHYULRIPGFX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.72
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine

5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine (PubChem CID 110369509) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
PubChem CID110369509
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine
SMILESCc1ccc(C2CN(S(C)(=O)=O)C(C)CO2)cc1
InChIInChI=1S/C13H19NO3S/c1-10-4-6-12(7-5-10)13-8-14(18(3,15)16)11(2)9-17-13/h4-7,11,13H,8-9H2,1-3H3
InChIKeyPXKKHYULRIPGFX-UHFFFAOYSA-N
XLogP1.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methylsulfonyl]-5-methyl-2-(4-methylphenyl)morpholine
CID 110369540
[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110369501
4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
4-(2,5-dimethylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369387
4-(benzenesulfonyl)-5-methyl-2-phenylmorpholine
CID 110369381
(2R,5S)-N,N,5-trimethyl-2-phenylmorpholine-4-sulfonamide
CID 95177243
4-ethylsulfonyl-2-(4-methoxyphenyl)-5-methylmorpholine
CID 110369636
cyclohexyl-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369447
4-benzylsulfonyl-5-methyl-2-phenylmorpholine
CID 110369410
5-methyl-4-[(3-methylphenyl)methylsulfonyl]-2-phenylmorpholine
CID 110369412
5-methyl-4-(5-methylthiophen-2-yl)sulfonyl-2-phenylmorpholine
CID 110369404
(4-fluorophenyl)-[5-methyl-2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110369460

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine (CID 110369509) is 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine is Cc1ccc(C2CN(S(C)(=O)=O)C(C)CO2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine?
The InChIKey is PXKKHYULRIPGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-4-6-12(7-5-10)13-8-14(18(3,15)16)11(2)9-17-13/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine?
5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-4-methylsulfonylmorpholine is sourced from PubChem (CID 110369509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).