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

C12H14BrN3O2S2 — CID 129335423

IUPAC5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrN3O2S2/c13-10-1-2-12(19-10)20(17,18)15-8-9-3-5-16-6-4-14-11(16)7-9/h1-2,4,6,9,15H,3,5,7-8H2/t9-/m0/s1
InChIKeyPDJOQYCRZSIYLQ-VIFPVBQESA-N
MW376.30 g/mol
LogP2.25
Rot. Bonds4

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

5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide (PubChem CID 129335423) has the molecular formula C12H14BrN3O2S2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
PubChem CID129335423
Molecular FormulaC12H14BrN3O2S2
Molecular Weight376.30 g/mol
Exact Mass374.97
IUPAC Name5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc(Br)s1
InChIInChI=1S/C12H14BrN3O2S2/c13-10-1-2-12(19-10)20(17,18)15-8-9-3-5-16-6-4-14-11(16)7-9/h1-2,4,6,9,15H,3,5,7-8H2/t9-/m0/s1
InChIKeyPDJOQYCRZSIYLQ-VIFPVBQESA-N
XLogP2.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129334999
5-bromo-4-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide
CID 129332677
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
2-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)ethanesulfonamide
CID 128992126
N-methyl-1-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanamine
CID 98013239
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
4-(2-oxopyrrolidin-1-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129329458
4-chloro-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 129342081
2-cyano-3-methyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 129005301
5-cyano-2-methyl-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]benzenesulfonamide
CID 129337322
2-chloro-5-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)benzenesulfonamide
CID 128997553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide (CID 129335423) is 5-bromo-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-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide is O=S(=O)(NC[C@H]1CCn2ccnc2C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
The InChIKey is PDJOQYCRZSIYLQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14BrN3O2S2/c13-10-1-2-12(19-10)20(17,18)15-8-9-3-5-16-6-4-14-11(16)7-9/h1-2,4,6,9,15H,3,5,7-8H2/t9-/m0/s1.
What are the key properties of 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide?
5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide has a molecular weight of 376.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 129335423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).