N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide

C14H21N3O4S — CID 110630897

IUPACN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C14H21N3O4S/c1-20-8-9-21-10-11-22(18,19)16-6-5-14-15-12-13-4-2-3-7-17(13)14/h2-4,7,12,16H,5-6,8-11H2,1H3
InChIKeyFIZNJGIUBQTEMC-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.46
Rot. Bonds10

About N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide (PubChem CID 110630897) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
PubChem CID110630897
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC NameN-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide
SMILESCOCCOCCS(=O)(=O)NCCc1ncc2ccccn12
InChIInChI=1S/C14H21N3O4S/c1-20-8-9-21-10-11-22(18,19)16-6-5-14-15-12-13-4-2-3-7-17(13)14/h2-4,7,12,16H,5-6,8-11H2,1H3
InChIKeyFIZNJGIUBQTEMC-UHFFFAOYSA-N
XLogP0.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide (CID 110630897) is N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide.
What is the SMILES notation for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The canonical SMILES for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide is COCCOCCS(=O)(=O)NCCc1ncc2ccccn12.
What is the InChIKey of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
The InChIKey is FIZNJGIUBQTEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-20-8-9-21-10-11-22(18,19)16-6-5-14-15-12-13-4-2-3-7-17(13)14/h2-4,7,12,16H,5-6,8-11H2,1H3.
What are the key properties of N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide?
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 0.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-(2-methoxyethoxy)ethanesulfonamide is sourced from PubChem (CID 110630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).