2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline

C13H19FN2O3S — CID 60986467

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
SMILESCCC1COC(C)CN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O3S/c1-3-11-8-19-9(2)7-16(11)20(17,18)13-6-10(14)4-5-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyHJLIWRKDOWVCLF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.60
Rot. Bonds3

About 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline (PubChem CID 60986467) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
PubChem CID60986467
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
SMILESCCC1COC(C)CN1S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O3S/c1-3-11-8-19-9(2)7-16(11)20(17,18)13-6-10(14)4-5-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyHJLIWRKDOWVCLF-UHFFFAOYSA-N
XLogP1.60
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.60
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

2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4,5-dimethylaniline
CID 43576224
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
CID 102920372
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-4-fluoroaniline
CID 93398177
2-(5-ethyl-2-methylmorpholin-4-yl)-5-fluoroaniline
CID 43578065
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
4-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-propylpyrazol-3-amine
CID 60809609
1-[4-(5-ethyl-2-methylmorpholin-4-yl)sulfonylphenyl]ethanamine
CID 61424752
5-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-1-methylimidazol-4-amine
CID 63978903
[5-bromo-3-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61424855
4-fluoro-2-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542775
methyl 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoate
CID 98753988
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline (CID 60986467) is 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline is CCC1COC(C)CN1S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline?
The InChIKey is HJLIWRKDOWVCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-11-8-19-9(2)7-16(11)20(17,18)13-6-10(14)4-5-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline?
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline has a molecular weight of 302.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline is sourced from PubChem (CID 60986467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).