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

C13H19NO4S — CID 801472

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

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

4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine (PubChem CID 801472) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
PubChem CID801472
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C
InChIInChI=1S/C13H19NO4S/c1-10-9-13(11(2)8-12(10)17-3)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyFONAWGCVRXIHQI-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

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
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
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
1-(4-Ethoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 850044
Methyl [2-methyl-4-(morpholin-4-ylsulfonyl)phenoxy]acetate
CID 972838
1-[(4-Methoxy-2-methylphenyl)sulfonyl]-4-methylpiperazine
CID 1076577
4-(4-Methoxy-2,3,5-trimethylbenzenesulfonyl)morpholine
CID 1085542
Methyl 2,3,5-trimethyl-4-(4-morpholinylsulfonyl)phenyl ether
CID 1085560

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine (CID 801472) is 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine is COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C.
What is the InChIKey of 4-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine?
The InChIKey is FONAWGCVRXIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-9-13(11(2)8-12(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-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine?
4-(4-methoxy-2,5-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-(4-methoxy-2,5-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 801472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).