[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine

C13H19FN2O3S — CID 79186896

IUPAC[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2ccc(CN)cc2F)C(C)CO1
InChIInChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyJYGILPZQQUHNGH-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.08
Rot. Bonds3

About [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine

[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine (PubChem CID 79186896) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
PubChem CID79186896
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine
SMILESCC1CN(S(=O)(=O)c2ccc(CN)cc2F)C(C)CO1
InChIInChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyJYGILPZQQUHNGH-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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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine (CID 79186896) is [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine is CC1CN(S(=O)(=O)c2ccc(CN)cc2F)C(C)CO1.
What is the InChIKey of [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine?
The InChIKey is JYGILPZQQUHNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-8-19-10(2)7-16(9)20(17,18)13-4-3-11(6-15)5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine?
[4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-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 [4-(2,5-dimethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 79186896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).