5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine

C11H16BrN3O2S — CID 6623917

IUPAC5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C11H16BrN3O2S/c1-8-2-4-15(5-3-8)18(16,17)10-6-9(12)7-14-11(10)13/h6-8H,2-5H2,1H3,(H2,13,14)
InChIKeyATQNBPSHYLXBCS-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.85
Rot. Bonds2

About 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine

5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 6623917) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID6623917
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
InChIInChI=1S/C11H16BrN3O2S/c1-8-2-4-15(5-3-8)18(16,17)10-6-9(12)7-14-11(10)13/h6-8H,2-5H2,1H3,(H2,13,14)
InChIKeyATQNBPSHYLXBCS-UHFFFAOYSA-N
XLogP1.85
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 6623917) is 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine is CC1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1.
What is the InChIKey of 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is ATQNBPSHYLXBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-8-2-4-15(5-3-8)18(16,17)10-6-9(12)7-14-11(10)13/h6-8H,2-5H2,1H3,(H2,13,14).
What are the key properties of 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 334.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 6623917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).