4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C13H18FNO3S — CID 46452449

IUPAC4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-9-4-5-12(14)6-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3
InChIKeyVAYTTYMGSUWTOV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds2

About 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 46452449) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID46452449
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-9-4-5-12(14)6-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3
InChIKeyVAYTTYMGSUWTOV-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
(2S,6S)-2,6-dimethyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 7510206
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
(3S,4S)-4-(dimethylamino)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 131921248
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
4-bromo-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine
CID 80672227
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627500

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 46452449) is 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1ccc(F)cc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is VAYTTYMGSUWTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-4-5-12(14)6-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 287.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 46452449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).