[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine

C13H19FN2O3S — CID 104958532

IUPAC[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2)C[C@H](C)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-7-16(8-10(2)19-9)20(17,18)12-3-4-13(14)11(5-12)6-15/h3-5,9-10H,6-8,15H2,1-2H3/t9-,10+
InChIKeyZUKVSESCQGELRP-AOOOYVTPSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds3

About [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine

[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine (PubChem CID 104958532) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
PubChem CID104958532
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
SMILESC[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2)C[C@H](C)O1
InChIInChI=1S/C13H19FN2O3S/c1-9-7-16(8-10(2)19-9)20(17,18)12-3-4-13(14)11(5-12)6-15/h3-5,9-10H,6-8,15H2,1-2H3/t9-,10+
InChIKeyZUKVSESCQGELRP-AOOOYVTPSA-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

Analyze [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine with MolForge

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Related Compounds

[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
(2R,6S)-4-(3,4-difluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2142612
4-(3-chloro-4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
CID 2938439
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluoroaniline
CID 82844225
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 28716722
5-(2,6-dimethylmorpholin-4-yl)sulfonyl-2-fluorobenzoic acid
CID 43078608
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 42968218
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzenesulfonamide
CID 788068

Frequently Asked Questions

What is the IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine (CID 104958532) is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine is C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(CN)c2)C[C@H](C)O1.
What is the InChIKey of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine?
The InChIKey is ZUKVSESCQGELRP-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-7-16(8-10(2)19-9)20(17,18)12-3-4-13(14)11(5-12)6-15/h3-5,9-10H,6-8,15H2,1-2H3/t9-,10+.
What are the key properties of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine?
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-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 [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine is sourced from PubChem (CID 104958532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).