4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine

C13H19NO4S — CID 110758314

IUPAC4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19NO4S/c1-10-8-11(2)13(17-3)12(9-10)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyYNRGBEOREONBAV-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.33
Rot. Bonds3

About 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine

4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine (PubChem CID 110758314) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
PubChem CID110758314
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Name4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine
SMILESCOc1c(C)cc(C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H19NO4S/c1-10-8-11(2)13(17-3)12(9-10)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3
InChIKeyYNRGBEOREONBAV-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

1-(2-methoxy-3,5-dimethylphenyl)sulfonylazepane
CID 110758344
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998743
4-(3,5-dichloro-2-methoxyphenyl)sulfonylmorpholine
CID 110758541
1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(2,3,4-trimethoxy-5-morpholin-4-ylsulfonylphenyl)ethanone
CID 118477196
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
1-(3-tert-butyl-2-methoxy-5-methylphenyl)sulfonylpyrrolidine
CID 110758574
4-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylmorpholine
CID 747368
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
4-(4-chloro-2,5-dimethoxyphenyl)sulfonylmorpholine
CID 760766
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine (CID 110758314) is 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine is COc1c(C)cc(C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine?
The InChIKey is YNRGBEOREONBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-10-8-11(2)13(17-3)12(9-10)19(15,16)14-4-6-18-7-5-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine?
4-(2-methoxy-3,5-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-(2-methoxy-3,5-dimethylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110758314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).