2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide

C12H14N6O2S — CID 64518723

IUPAC2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)nc2ccccn12
InChIInChI=1S/C12H14N6O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyALGJTVWHGKCRTE-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.46
Rot. Bonds4

About 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide

2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide (PubChem CID 64518723) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
PubChem CID64518723
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide
SMILESCN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)nc2ccccn12
InChIInChI=1S/C12H14N6O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8,13H2,1H3,(H,14,15)
InChIKeyALGJTVWHGKCRTE-UHFFFAOYSA-N
XLogP0.46
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide (CID 64518723) is 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide is CN(Cc1ncc[nH]1)S(=O)(=O)c1c(N)nc2ccccn12.
What is the InChIKey of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
The InChIKey is ALGJTVWHGKCRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c1-17(8-9-14-5-6-15-9)21(19,20)12-11(13)16-10-4-2-3-7-18(10)12/h2-7H,8,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide?
2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide has a molecular weight of 306.35 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-imidazol-2-ylmethyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide is sourced from PubChem (CID 64518723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).