3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline

C14H22N2O3S — CID 79888974

IUPAC3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-9-5-13(15)12(4)14(6-9)20(17,18)16-7-10(2)19-11(3)8-16/h5-6,10-11H,7-8,15H2,1-4H3
InChIKeyNFOALVOXJMKLMZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.68
Rot. Bonds2

About 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline

3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline (PubChem CID 79888974) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
PubChem CID79888974
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline
SMILESCc1cc(N)c(C)c(S(=O)(=O)N2CC(C)OC(C)C2)c1
InChIInChI=1S/C14H22N2O3S/c1-9-5-13(15)12(4)14(6-9)20(17,18)16-7-10(2)19-11(3)8-16/h5-6,10-11H,7-8,15H2,1-4H3
InChIKeyNFOALVOXJMKLMZ-UHFFFAOYSA-N
XLogP1.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840
3-(3,4-dimethoxypyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 103530363
(2S,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510214
(2R,6S)-4-(2,5-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7510211
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluoro-4-methylaniline
CID 104957721
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
4-(2-methoxy-5-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2933021
[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4,5-dimethylphenyl]methanol
CID 104961498
2,5-dimethyl-3-(2,3,5-trimethylpiperidin-1-yl)sulfonylaniline
CID 114591939
3-(4-ethoxypiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79885293
(2S,6S)-2,6-dimethyl-4-(2,3,4-trimethylphenyl)sulfonylmorpholine
CID 7177601
3-(3-ethylpiperidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79888899

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline (CID 79888974) is 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline is Cc1cc(N)c(C)c(S(=O)(=O)N2CC(C)OC(C)C2)c1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline?
The InChIKey is NFOALVOXJMKLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-9-5-13(15)12(4)14(6-9)20(17,18)16-7-10(2)19-11(3)8-16/h5-6,10-11H,7-8,15H2,1-4H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline?
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline has a molecular weight of 298.41 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)sulfonyl-2,5-dimethylaniline is sourced from PubChem (CID 79888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).