4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine

C14H21NO4S — CID 112507401

IUPAC4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1C
InChIInChI=1S/C14H21NO4S/c1-11-9-12(5-6-13(11)18-4)20(16,17)15-7-8-19-10-14(15,2)3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyULDWTRBWZCGPLV-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.80
Rot. Bonds3

About 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine

4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine (PubChem CID 112507401) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
PubChem CID112507401
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1C
InChIInChI=1S/C14H21NO4S/c1-11-9-12(5-6-13(11)18-4)20(16,17)15-7-8-19-10-14(15,2)3/h5-6,9H,7-8,10H2,1-4H3
InChIKeyULDWTRBWZCGPLV-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 47387477
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-methoxybenzamide
CID 146024510
4-(4-methoxyphenyl)sulfonyl-3,3-dimethylmorpholine
CID 112507393
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
3,3-dimethyl-4-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
CID 154794697
[2-chloro-4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]methanol
CID 107090677
1-[4-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 112507427
4-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-(trifluoromethyl)benzoic acid
CID 146132870
1-[3-(3,3-dimethylmorpholin-4-yl)sulfonylphenyl]ethanol
CID 61428098
5-(3,3-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzenecarbothioamide
CID 63289053
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132253

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine?
The IUPAC name of 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine (CID 112507401) is 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine.
What is the SMILES notation for 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine?
The canonical SMILES for 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine is COc1ccc(S(=O)(=O)N2CCOCC2(C)C)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine?
The InChIKey is ULDWTRBWZCGPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-11-9-12(5-6-13(11)18-4)20(16,17)15-7-8-19-10-14(15,2)3/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine?
4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine has a molecular weight of 299.39 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylphenyl)sulfonyl-3,3-dimethylmorpholine is sourced from PubChem (CID 112507401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).