4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine

C13H19NO4S — CID 801475

IUPAC4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C
InChIInChI=1S/C13H19NO4S/c1-10-8-11(2)13(9-12(10)17-3)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyYQROMJVHCNLFLO-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.33
Rot. Bonds3

About 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine

4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine (PubChem CID 801475) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine
PubChem CID801475
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine
SMILESCOc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C
InChIInChI=1S/C13H19NO4S/c1-10-8-11(2)13(9-12(10)17-3)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyYQROMJVHCNLFLO-UHFFFAOYSA-N
XLogP1.33
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]-4-piperidinecarboxamide
CID 756572
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
5-ethoxy-2,4-dimethyl-N-[2-(4-morpholinyl)ethyl]benzenesulfonamide
CID 1256749
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560
5-methoxy-N-(2-methoxyethyl)-2,4-dimethylbenzenesulfonamide
CID 2137824
4-[(2-Methoxy-5-methylphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933021
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
4-(2-Methoxy-5-methylbenzenesulfonyl)morpholine
CID 775521

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine (CID 801475) is 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine is COc1cc(S(=O)(=O)N2CCOCC2)c(C)cc1C.
What is the InChIKey of 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine?
The InChIKey is YQROMJVHCNLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-8-11(2)13(9-12(10)17-3)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine?
4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine has a molecular weight of 285.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-2,4-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 801475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).