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

C13H16BrN3O2S2 — CID 128965320

IUPAC5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1CCc2nccn2C1
InChIInChI=1S/C13H16BrN3O2S2/c1-9-11(6-12(14)20-9)21(18,19)16-7-10-2-3-13-15-4-5-17(13)8-10/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeySOXLCJIISQJVQH-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.56
Rot. Bonds4

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

5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide (PubChem CID 128965320) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
PubChem CID128965320
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCC1CCc2nccn2C1
InChIInChI=1S/C13H16BrN3O2S2/c1-9-11(6-12(14)20-9)21(18,19)16-7-10-2-3-13-15-4-5-17(13)8-10/h4-6,10,16H,2-3,7-8H2,1H3
InChIKeySOXLCJIISQJVQH-UHFFFAOYSA-N
XLogP2.56
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-3-sulfonamide
CID 129339275
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
5-bromo-2-methyl-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 115690359
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)butane-1-sulfonamide
CID 128995590
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 128995583
2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128966223
(2S)-1-methoxy-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]propane-2-sulfonamide
CID 129472884
4-chloro-3-cyano-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]benzenesulfonamide
CID 129338183
7-chloro-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 128995589
3-ethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 129340913
(2R)-7-chloro-2-methyl-N-[[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129327879
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)propan-2-amine
CID 131134209

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide (CID 128965320) is 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCC1CCc2nccn2C1.
What is the InChIKey of 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is SOXLCJIISQJVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-9-11(6-12(14)20-9)21(18,19)16-7-10-2-3-13-15-4-5-17(13)8-10/h4-6,10,16H,2-3,7-8H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 128965320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).