6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine

C12H14BrN3O2S — CID 129053923

IUPAC6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1
InChIInChI=1S/C12H14BrN3O2S/c13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2
InChIKeyTYHWCFAWWACJJM-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.27
Rot. Bonds2

About 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine

6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine (PubChem CID 129053923) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine
PubChem CID129053923
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC Name6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine
SMILESO=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1
InChIInChI=1S/C12H14BrN3O2S/c13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2
InChIKeyTYHWCFAWWACJJM-UHFFFAOYSA-N
XLogP2.27
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine?
The IUPAC name of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine (CID 129053923) is 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine is O=S(=O)(c1cnc2ccc(Br)cn12)N1CCCCC1.
What is the InChIKey of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine?
The InChIKey is TYHWCFAWWACJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c13-10-4-5-11-14-8-12(16(11)9-10)19(17,18)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine?
6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine has a molecular weight of 344.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-piperidin-1-ylsulfonylimidazo[1,2-a]pyridine is sourced from PubChem (CID 129053923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).