[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine

C12H17FN2O3S — CID 61339337

IUPAC[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-4-5-18-11(7-14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyBATGHMREPOJDDE-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.48
Rot. Bonds3

About [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine

[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine (PubChem CID 61339337) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
PubChem CID61339337
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCOC(CN)C1
InChIInChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-4-5-18-11(7-14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3
InChIKeyBATGHMREPOJDDE-UHFFFAOYSA-N
XLogP0.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211515
[4-(4-fluoro-2,6-dimethylphenyl)sulfonylmorpholin-2-yl]methanamine;hydrochloride
CID 120712882
2-(bromomethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81212406
2-(chloromethyl)-4-(4-fluoro-2-methylphenyl)sulfonylmorpholine
CID 81211432
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
[(2R)-4-(3-methylphenyl)sulfonylmorpholin-2-yl]methanamine
CID 42252952
[1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62371177
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
[4-(2,5-dimethoxyphenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398431
[4-(4-methyl-3-nitrophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398346
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
[4-(2,3-dichlorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398436

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine (CID 61339337) is [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine is Cc1ccc(F)cc1S(=O)(=O)N1CCOC(CN)C1.
What is the InChIKey of [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
The InChIKey is BATGHMREPOJDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9-2-3-10(13)6-12(9)19(16,17)15-4-5-18-11(7-14)8-15/h2-3,6,11H,4-5,7-8,14H2,1H3.
What are the key properties of [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine?
[4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine has a molecular weight of 288.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]methanamine is sourced from PubChem (CID 61339337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).