1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone

C9H11NO3S — CID 2736945

IUPAC1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
SMILESCc1cccc(C(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-8(10-7)9(11)6-14(2,12)13/h3-5H,6H2,1-2H3
InChIKeyRIIUSEYOSRDNLM-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.62
Rot. Bonds3

About 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone

1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone (PubChem CID 2736945) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
PubChem CID2736945
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone
SMILESCc1cccc(C(=O)CS(C)(=O)=O)n1
InChIInChI=1S/C9H11NO3S/c1-7-4-3-5-8(10-7)9(11)6-14(2,12)13/h3-5H,6H2,1-2H3
InChIKeyRIIUSEYOSRDNLM-UHFFFAOYSA-N
XLogP0.62
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methyl-2-pyridinyl)-3-oxopropanenitrile
CID 53435643
4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
CID 114473556
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
6-methylpyridine-2-carbonyl iodide
CID 154552361
2-cyclopentyl-1-(6-methyl-2-pyridinyl)ethanone
CID 63555756
1-(6-methyl-2-pyridinyl)-2-propoxyethanone
CID 79567849
1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522
2-(1-benzylsulfonylpyrrol-3-yl)-1-(6-methyl-2-pyridinyl)ethanone
CID 159309163
4-ethoxy-1-(6-methyl-2-pyridinyl)butan-1-one
CID 121013346
1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 55221684
2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone (CID 2736945) is 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone is Cc1cccc(C(=O)CS(C)(=O)=O)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone?
The InChIKey is RIIUSEYOSRDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-7-4-3-5-8(10-7)9(11)6-14(2,12)13/h3-5H,6H2,1-2H3.
What are the key properties of 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone?
1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone has a molecular weight of 213.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-2-methylsulfonylethanone is sourced from PubChem (CID 2736945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).