1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide

C12H18BrN3O2S — CID 84586788

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C12H18BrN3O2S/c1-9-6-10(13)7-15-12(9)16-5-3-4-11(8-16)19(17,18)14-2/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyZHGDXSKJRDHDIZ-UHFFFAOYSA-N
MW348.27 g/mol
LogP1.67
Rot. Bonds3

About 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide

1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide (PubChem CID 84586788) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
PubChem CID84586788
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCCN(c2ncc(Br)cc2C)C1
InChIInChI=1S/C12H18BrN3O2S/c1-9-6-10(13)7-15-12(9)16-5-3-4-11(8-16)19(17,18)14-2/h6-7,11,14H,3-5,8H2,1-2H3
InChIKeyZHGDXSKJRDHDIZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133359713
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
N-[[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360369
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 79718817
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163348279
5-bromo-3-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)pyridine
CID 112699044
N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]cyclopropanesulfonamide
CID 163344254
1-(5-bromo-3-methyl-2-pyridinyl)-4-methylpiperidin-3-ol
CID 103896085
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
(3S)-1-(5-bromo-3-methyl-2-pyridinyl)-3-methylpiperazine
CID 96944496
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide (CID 84586788) is 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide is CNS(=O)(=O)C1CCCN(c2ncc(Br)cc2C)C1.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide?
The InChIKey is ZHGDXSKJRDHDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-9-6-10(13)7-15-12(9)16-5-3-4-11(8-16)19(17,18)14-2/h6-7,11,14H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide?
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-3-sulfonamide is sourced from PubChem (CID 84586788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).