[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride

C13H20ClFN2O3S — CID 120712882

IUPAC[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(CN)C1.Cl
InChIInChI=1S/C13H19FN2O3S.ClH/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16;/h5-6,12H,3-4,7-8,15H2,1-2H3;1H
InChIKeyFTEFYKHPUBYEJM-UHFFFAOYSA-N
MW338.83 g/mol
LogP1.21
Rot. Bonds3

About [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride

[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride (PubChem CID 120712882) has the molecular formula C13H20ClFN2O3S and a molecular weight of 338.83 g/mol. Its IUPAC name is [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
PubChem CID120712882
Molecular FormulaC13H20ClFN2O3S
Molecular Weight338.83 g/mol
Exact Mass338.09
IUPAC Name[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(CN)C1.Cl
InChIInChI=1S/C13H19FN2O3S.ClH/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16;/h5-6,12H,3-4,7-8,15H2,1-2H3;1H
InChIKeyFTEFYKHPUBYEJM-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.83
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 61339337
4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholine-2-carbonitrile
CID 107327297
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[4-(2-ethyl-5-methylpyrazol-3-yl)sulfonylmorpholin-2-yl]methanamine
CID 122556734
[4-(3,5-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398478
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
[4-(4-methoxy-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81209194
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
2-(chloromethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211432
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
[(2R)-4-(4-chlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252815
[4-(4-amino-2,6-difluorophenyl)sulfonylmorpholin-2-yl]methanol
CID 81205843

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride (CID 120712882) is [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride is Cc1cc(F)cc(C)c1S(=O)(=O)N1CCOC(CN)C1.Cl.
What is the InChIKey of [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride?
The InChIKey is FTEFYKHPUBYEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S.ClH/c1-9-5-11(14)6-10(2)13(9)20(17,18)16-3-4-19-12(7-15)8-16;/h5-6,12H,3-4,7-8,15H2,1-2H3;1H.
What are the key properties of [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride?
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride has a molecular weight of 338.83 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120712882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).