5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide

C13H16BrN3O2S2 — CID 129332677

IUPAC5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)sc1Br
InChIInChI=1S/C13H16BrN3O2S2/c1-9-6-12(20-13(9)14)21(18,19)16-8-10-2-4-17-5-3-15-11(17)7-10/h3,5-6,10,16H,2,4,7-8H2,1H3/t10-/m0/s1
InChIKeyLCZDHKDELMZCPT-JTQLQIEISA-N
MW390.33 g/mol
LogP2.56
Rot. Bonds4

About 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide

5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide (PubChem CID 129332677) has the molecular formula C13H16BrN3O2S2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
PubChem CID129332677
Molecular FormulaC13H16BrN3O2S2
Molecular Weight390.33 g/mol
Exact Mass388.99
IUPAC Name5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)sc1Br
InChIInChI=1S/C13H16BrN3O2S2/c1-9-6-12(20-13(9)14)21(18,19)16-8-10-2-4-17-5-3-15-11(17)7-10/h3,5-6,10,16H,2,4,7-8H2,1H3/t10-/m0/s1
InChIKeyLCZDHKDELMZCPT-JTQLQIEISA-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
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129335423
5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
2,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)thiophene-3-sulfonamide
CID 128967311
5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337322
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
1,3-dimethyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]pyrazolo[5,4-b]pyridine-5-sulfonamide
CID 129341409
2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553
(2S)-2-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129342004
5-bromo-N-[(2-hydroxycyclohexyl)methyl]-4-methylthiophene-2-sulfonamide
CID 79988854
1-acetyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 129336915

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide (CID 129332677) is 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide is Cc1cc(S(=O)(=O)NC[C@H]2CCn3ccnc3C2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is LCZDHKDELMZCPT-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16BrN3O2S2/c1-9-6-12(20-13(9)14)21(18,19)16-8-10-2-4-17-5-3-15-11(17)7-10/h3,5-6,10,16H,2,4,7-8H2,1H3/t10-/m0/s1.
What are the key properties of 5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-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-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 129332677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).