5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine

C12H18BrN3O2S — CID 104968716

IUPAC5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O2S/c1-8-4-3-5-9(2)16(8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3,(H2,14,15)/t8-,9+
InChIKeyOWQGNJILFFSFGW-DTORHVGOSA-N
MW348.27 g/mol
LogP2.38
Rot. Bonds2

About 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine

5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine (PubChem CID 104968716) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
PubChem CID104968716
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine
SMILESC[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C12H18BrN3O2S/c1-8-4-3-5-9(2)16(8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3,(H2,14,15)/t8-,9+
InChIKeyOWQGNJILFFSFGW-DTORHVGOSA-N
XLogP2.38
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(2,4-dimethylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 103823679
1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]-4-methylpiperidin-3-ol
CID 103896892
(3R)-1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]pyrrolidin-3-ol
CID 66820212
2-amino-5-bromo-N-(2-methylsulfanylcyclopentyl)pyridine-3-sulfonamide
CID 103823754
[1-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperidin-2-yl]methanol
CID 62152381
5-bromo-3-(3-methoxypyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 103538299
(2-amino-5-bromo-3-pyridinyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968760
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 64583956
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-5-bromopyridin-2-amine
CID 63155054
5-bromo-3-thiomorpholin-4-ylsulfonylpyridin-2-amine
CID 62142835
2-bromo-5-(2,6-dimethylpiperidin-1-yl)sulfonylaniline
CID 115328626
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-4-amine
CID 104968731

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine (CID 104968716) is 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine is C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine?
The InChIKey is OWQGNJILFFSFGW-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-8-4-3-5-9(2)16(8)19(17,18)11-6-10(13)7-15-12(11)14/h6-9H,3-5H2,1-2H3,(H2,14,15)/t8-,9+.
What are the key properties of 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine?
5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine has a molecular weight of 348.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonylpyridin-2-amine is sourced from PubChem (CID 104968716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).