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

C12H18BrN3O2S — CID 62150356

IUPAC5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H18BrN3O2S/c1-9-5-3-4-6-16(9)19(17,18)11-7-10(13)8-15-12(11)14-2/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKOYBCXIVGPTNFP-UHFFFAOYSA-N
MW348.27 g/mol
LogP2.45
Rot. Bonds3

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

5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine (PubChem CID 62150356) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
PubChem CID62150356
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine
SMILESCNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H18BrN3O2S/c1-9-5-3-4-6-16(9)19(17,18)11-7-10(13)8-15-12(11)14-2/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKOYBCXIVGPTNFP-UHFFFAOYSA-N
XLogP2.45
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
3-chloro-N-methyl-5-(2-methylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 64608492
5-bromo-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)pyridin-2-amine
CID 66370317
[1-[[5-bromo-2-(methylamino)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]methanol
CID 112628564
5-bromo-N-methyl-3-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152979
5-bromo-N-methyl-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 62159209
5-bromo-3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-N-methylpyridin-2-amine
CID 64582955
1-(5-bromo-1-methylpyrazol-4-yl)sulfonyl-2-methylpiperidine
CID 126823017
5-bromo-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-methylpyridin-2-amine
CID 62149891
5-bromo-2-(methylamino)-N-[(2-methylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 113464137
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The IUPAC name of 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine (CID 62150356) is 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine is CNc1ncc(Br)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
The InChIKey is KOYBCXIVGPTNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-9-5-3-4-6-16(9)19(17,18)11-7-10(13)8-15-12(11)14-2/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine?
5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine has a molecular weight of 348.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylpyridin-2-amine is sourced from PubChem (CID 62150356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).