4-ethyl-5-methyl-2-methylsulfonylpyridine

C9H13NO2S — CID 123749791

IUPAC4-ethyl-5-methyl-2-methylsulfonylpyridine
SMILESCCc1cc(S(C)(=O)=O)ncc1C
InChIInChI=1S/C9H13NO2S/c1-4-8-5-9(13(3,11)12)10-6-7(8)2/h5-6H,4H2,1-3H3
InChIKeyBJOVJDZJFBTGEI-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.36
Rot. Bonds2

About 4-ethyl-5-methyl-2-methylsulfonylpyridine

4-ethyl-5-methyl-2-methylsulfonylpyridine (PubChem CID 123749791) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-methylsulfonylpyridine
PubChem CID123749791
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name4-ethyl-5-methyl-2-methylsulfonylpyridine
SMILESCCc1cc(S(C)(=O)=O)ncc1C
InChIInChI=1S/C9H13NO2S/c1-4-8-5-9(13(3,11)12)10-6-7(8)2/h5-6H,4H2,1-3H3
InChIKeyBJOVJDZJFBTGEI-UHFFFAOYSA-N
XLogP1.36
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-methylsulfonylpyridine
CID 89286390
N-ethyl-N,4-dimethyl-6-methylsulfonylpyridin-3-amine
CID 123308816
4-ethyl-5-methylpyridin-2-amine
CID 20612507
4-methyl-2-methylsulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 118798034
8-ethyl-3-methyl-4-methylsulfonylquinoline
CID 129268418
2,3-diethyl-5-methylsulfonylpyridine
CID 118464150
6-methyl-4-methylsulfonyl-1-oxidopyrimidin-1-ium
CID 3786467
2-ethyl-4-[(6-methylsulfonyl-3-pyridinyl)oxy]aniline
CID 66725908
(5-methylsulfonylpyrazin-2-yl)methanamine
CID 139437301
4-[3-(methylamino)-3-oxopropyl]-6-methylsulfonylpyridine-3-carboxamide
CID 173089877
N-ethyl-6-methylsulfonylpyrimidin-4-amine
CID 125499129
2-ethenyl-5-ethyl-4-methylpyridine
CID 45079614

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-methylsulfonylpyridine?
The IUPAC name of 4-ethyl-5-methyl-2-methylsulfonylpyridine (CID 123749791) is 4-ethyl-5-methyl-2-methylsulfonylpyridine.
What is the SMILES notation for 4-ethyl-5-methyl-2-methylsulfonylpyridine?
The canonical SMILES for 4-ethyl-5-methyl-2-methylsulfonylpyridine is CCc1cc(S(C)(=O)=O)ncc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-methylsulfonylpyridine?
The InChIKey is BJOVJDZJFBTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-8-5-9(13(3,11)12)10-6-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-methylsulfonylpyridine?
4-ethyl-5-methyl-2-methylsulfonylpyridine has a molecular weight of 199.28 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-methylsulfonylpyridine is sourced from PubChem (CID 123749791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).