4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine

C14H21NO4S — CID 1085560

IUPAC4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C14H21NO4S/c1-10-9-13(18-4)11(2)12(3)14(10)20(16,17)15-5-7-19-8-6-15/h9H,5-8H2,1-4H3
InChIKeyATUZVTKWLLZGDU-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.64
Rot. Bonds3

About 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine

4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine (PubChem CID 1085560) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine
PubChem CID1085560
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1C
InChIInChI=1S/C14H21NO4S/c1-10-9-13(18-4)11(2)12(3)14(10)20(16,17)15-5-7-19-8-6-15/h9H,5-8H2,1-4H3
InChIKeyATUZVTKWLLZGDU-UHFFFAOYSA-N
XLogP1.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-2,3,5-trimethyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide
CID 4914479
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 899243
1-(4-Ethoxy-2,3-dimethylphenyl)sulfonylpiperidine
CID 976573
4-[(4-Methoxy-1-naphthyl)sulfonyl]morpholine
CID 723649
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
N-(benzyloxy)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 834802
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
4-[(3-Isopropyl-4-methoxyphenyl)sulfonyl]morpholine
CID 971646
4-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]morpholine
CID 747368

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine (CID 1085560) is 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine is COc1cc(C)c(S(=O)(=O)N2CCOCC2)c(C)c1C.
What is the InChIKey of 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine?
The InChIKey is ATUZVTKWLLZGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10-9-13(18-4)11(2)12(3)14(10)20(16,17)15-5-7-19-8-6-15/h9H,5-8H2,1-4H3.
What are the key properties of 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine?
4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,3,6-trimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 1085560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).