[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

C13H19FN2O2S — CID 28716228

IUPAC[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(CN)ccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-6-16(7-5-10)19(17,18)13-8-11(9-15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyZRXYXGBHQLXWDJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.71
Rot. Bonds3

About [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 28716228) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID28716228
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(CN)ccc2F)CC1
InChIInChI=1S/C13H19FN2O2S/c1-10-4-6-16(7-5-10)19(17,18)13-8-11(9-15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3
InChIKeyZRXYXGBHQLXWDJ-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 28716228) is [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is CC1CCN(S(=O)(=O)c2cc(CN)ccc2F)CC1.
What is the InChIKey of [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is ZRXYXGBHQLXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-10-4-6-16(7-5-10)19(17,18)13-8-11(9-15)2-3-12(13)14/h2-3,8,10H,4-7,9,15H2,1H3.
What are the key properties of [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
[4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 286.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 28716228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).