5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide

C13H16BrN3O2S2 — CID 129339275

About 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide

5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide (PubChem CID 129339275) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide.

Molecular Properties

• Compound Name: 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
• PubChem CID: 129339275
• Molecular Formula: C13H16BrN3O2S2
• Molecular Weight: 390.33 g/mol
• Exact Mass: 388.99
• IUPAC Name: 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
• SMILES: Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1
• InChI: InChI=1S/C13H16BrN3O2S2/c1-9-11(7-12(14)20-9)21(18,19)16-8-10-2-4-17-5-3-15-13(17)6-10/h3,5,7,10,16H,2,4,6,8H2,1H3/t10-/m1/s1
• InChIKey: VTZGYQQXSWNWEP-SNVBAGLBSA-N
• XLogP: 2.56
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.33
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide?

The IUPAC name of 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide (CID 129339275) is 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide.

What is the SMILES notation for 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide?

The canonical SMILES for 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NC[C@@H]1CCn2ccnc2C1.

What is the InChIKey of 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide?

The InChIKey is VTZGYQQXSWNWEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-9-11(7-12(14)20-9)21(18,19)16-8-10-2-4-17-5-3-15-13(17)6-10/h3,5,7,10,16H,2,4,6,8H2,1H3/t10-/m1/s1.

What are the key properties of 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide?

5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide has a molecular weight of 390.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 129339275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).