3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide

C17H20N4O2S — CID 86787334

IUPAC3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
SMILESCCC(NCc1cn2ccccc2n1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20N4O2S/c1-2-16(13-6-5-7-15(10-13)24(18,22)23)19-11-14-12-21-9-4-3-8-17(21)20-14/h3-10,12,16,19H,2,11H2,1H3,(H2,18,22,23)
InChIKeyRNEWVFVHPICJQY-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.22
Rot. Bonds6

About 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide

3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide (PubChem CID 86787334) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
PubChem CID86787334
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
SMILESCCC(NCc1cn2ccccc2n1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C17H20N4O2S/c1-2-16(13-6-5-7-15(10-13)24(18,22)23)19-11-14-12-21-9-4-3-8-17(21)20-14/h3-10,12,16,19H,2,11H2,1H3,(H2,18,22,23)
InChIKeyRNEWVFVHPICJQY-UHFFFAOYSA-N
XLogP2.22
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
(3R)-3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-phenylpropan-1-ol
CID 111467271
N-ethyl-1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79109628
(1R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 81348736
3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 42931448
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)propane-1,3-diol
CID 65313149
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propylpropanamide
CID 60676900
N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 122145623
1-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylbutan-2-amine
CID 103271206
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447
(2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 99705994
1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanesulfonamide
CID 165442818

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide (CID 86787334) is 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide is CCC(NCc1cn2ccccc2n1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide?
The InChIKey is RNEWVFVHPICJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-16(13-6-5-7-15(10-13)24(18,22)23)19-11-14-12-21-9-4-3-8-17(21)20-14/h3-10,12,16,19H,2,11H2,1H3,(H2,18,22,23).
What are the key properties of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide?
3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 86787334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).