4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine

C13H19NO3S — CID 51294935

IUPAC4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)C2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-4-5-13(11(2)8-10)18(15,16)14-6-7-17-12(3)9-14/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyIQUYTAHJZNWFJU-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.71
Rot. Bonds2

About 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine

4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine (PubChem CID 51294935) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
PubChem CID51294935
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(C)C2)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-10-4-5-13(11(2)8-10)18(15,16)14-6-7-17-12(3)9-14/h4-5,8,12H,6-7,9H2,1-3H3
InChIKeyIQUYTAHJZNWFJU-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
1-(2,4-dimethylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79867451
4-(2-bromo-4-fluorophenyl)sulfonyl-2-methylmorpholine
CID 47257439
5-bromo-2-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43257108
2-methyl-4-(2-methyl-5-nitrophenyl)sulfonylmorpholine
CID 51294925
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
2-(2-methylmorpholin-4-yl)sulfonylphenol
CID 81239969
3-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-methyloxolan-2-one
CID 55472520
4-(4-fluoro-3-methylphenyl)sulfonyl-2-methylmorpholine
CID 52985823
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
3-bromo-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 80675434
1-(2,4-dimethylphenyl)sulfonylpiperidin-3-amine
CID 43120028

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine?
The IUPAC name of 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine (CID 51294935) is 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine?
The canonical SMILES for 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine is Cc1ccc(S(=O)(=O)N2CCOC(C)C2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine?
The InChIKey is IQUYTAHJZNWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-10-4-5-13(11(2)8-10)18(15,16)14-6-7-17-12(3)9-14/h4-5,8,12H,6-7,9H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine?
4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine has a molecular weight of 269.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)sulfonyl-2-methylmorpholine is sourced from PubChem (CID 51294935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).