8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine

C16H16N2O3S2 — CID 97000844

IUPAC8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(C[S@](=O)c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C16H16N2O3S2/c1-12-6-5-9-18-10-13(17-16(12)18)11-22(19)14-7-3-4-8-15(14)23(2,20)21/h3-10H,11H2,1-2H3/t22-/m0/s1
InChIKeyZQBMXBUMGGMYQF-QFIPXVFZSA-N
MW348.45 g/mol
LogP2.35
Rot. Bonds4

About 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine

8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 97000844) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine
PubChem CID97000844
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESCc1cccn2cc(C[S@](=O)c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C16H16N2O3S2/c1-12-6-5-9-18-10-13(17-16(12)18)11-22(19)14-7-3-4-8-15(14)23(2,20)21/h3-10H,11H2,1-2H3/t22-/m0/s1
InChIKeyZQBMXBUMGGMYQF-QFIPXVFZSA-N
XLogP2.35
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine (CID 97000844) is 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine is Cc1cccn2cc(C[S@](=O)c3ccccc3S(C)(=O)=O)nc12.
What is the InChIKey of 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZQBMXBUMGGMYQF-QFIPXVFZSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c1-12-6-5-9-18-10-13(17-16(12)18)11-22(19)14-7-3-4-8-15(14)23(2,20)21/h3-10H,11H2,1-2H3/t22-/m0/s1.
What are the key properties of 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine?
8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 348.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[(S)-(2-methylsulfonylphenyl)sulfinyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 97000844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).