ethane;4-methyl-3-methylsulfonylpyridine

C9H15NO2S — CID 142044730

IUPACethane;4-methyl-3-methylsulfonylpyridine
SMILESCC.Cc1ccncc1S(C)(=O)=O
InChIInChI=1S/C7H9NO2S.C2H6/c1-6-3-4-8-5-7(6)11(2,9)10;1-2/h3-5H,1-2H3;1-2H3
InChIKeyILGQETFGHJVKSU-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.82
Rot. Bonds1

About ethane;4-methyl-3-methylsulfonylpyridine

ethane;4-methyl-3-methylsulfonylpyridine (PubChem CID 142044730) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is ethane;4-methyl-3-methylsulfonylpyridine.

Molecular Properties

Compound Nameethane;4-methyl-3-methylsulfonylpyridine
PubChem CID142044730
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Nameethane;4-methyl-3-methylsulfonylpyridine
SMILESCC.Cc1ccncc1S(C)(=O)=O
InChIInChI=1S/C7H9NO2S.C2H6/c1-6-3-4-8-5-7(6)11(2,9)10;1-2/h3-5H,1-2H3;1-2H3
InChIKeyILGQETFGHJVKSU-UHFFFAOYSA-N
XLogP1.82
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3-methylsulfonylpyridine?
The IUPAC name of ethane;4-methyl-3-methylsulfonylpyridine (CID 142044730) is ethane;4-methyl-3-methylsulfonylpyridine.
What is the SMILES notation for ethane;4-methyl-3-methylsulfonylpyridine?
The canonical SMILES for ethane;4-methyl-3-methylsulfonylpyridine is CC.Cc1ccncc1S(C)(=O)=O.
What is the InChIKey of ethane;4-methyl-3-methylsulfonylpyridine?
The InChIKey is ILGQETFGHJVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C2H6/c1-6-3-4-8-5-7(6)11(2,9)10;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-3-methylsulfonylpyridine?
ethane;4-methyl-3-methylsulfonylpyridine has a molecular weight of 201.29 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3-methylsulfonylpyridine is sourced from PubChem (CID 142044730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).