[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine

C13H19FN2O3S — CID 102920372

IUPAC[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2cc(F)ccc2CN)C(C)CO1
InChIInChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-5-12(14)4-3-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyMULFJUBEWWVGPU-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds3

About [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine

[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine (PubChem CID 102920372) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
PubChem CID102920372
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2cc(F)ccc2CN)C(C)CO1
InChIInChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-5-12(14)4-3-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyMULFJUBEWWVGPU-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79186896
[4-(2,5-difluorophenyl)sulfonyl-5-methylmorpholin-2-yl]methanamine
CID 81218450
3-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-ethylaniline
CID 43544290
methyl 2-[(2R,5S)-2,5-dimethylmorpholin-4-yl]sulfonyl-4-fluorobenzoate
CID 98753988
2-(5-ethyl-2-methylmorpholin-4-yl)sulfonyl-4-fluoroaniline
CID 60986467
[2-(2,5-dimethylmorpholin-4-yl)-5-fluorophenyl]methanamine
CID 43544860
N-[[4-fluoro-2-(3-methylmorpholin-4-yl)sulfonylphenyl]methyl]ethanamine
CID 102920370
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
(2S,5R)-2,5-dimethyl-4-[2-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51936673
(2S,5R)-4-(5-fluoro-2-methylphenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 146099586
(3S,4S)-4-[4-[2-(aminomethyl)-5-fluorophenyl]sulfonylpiperazin-1-yl]-N,N-dimethyloxolan-3-amine
CID 58877931
4-(3-fluoro-2-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 115589516

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine?
The IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine (CID 102920372) is [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine?
The canonical SMILES for [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine is CC1CN(S(=O)(=O)c2cc(F)ccc2CN)C(C)CO1.
What is the InChIKey of [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine?
The InChIKey is MULFJUBEWWVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-5-12(14)4-3-11(13)6-15/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine?
[2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine has a molecular weight of 302.37 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylmorpholin-4-yl)sulfonyl-4-fluorophenyl]methanamine is sourced from PubChem (CID 102920372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).