5-ethyl-4-methyl-2-methylsulfonylpyridine

C9H13NO2S — CID 89286390

IUPAC5-ethyl-4-methyl-2-methylsulfonylpyridine
SMILESCCc1cnc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H13NO2S/c1-4-8-6-10-9(5-7(8)2)13(3,11)12/h5-6H,4H2,1-3H3
InChIKeyUOUGOOJWCHCCPE-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.36
Rot. Bonds2

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

5-ethyl-4-methyl-2-methylsulfonylpyridine (PubChem CID 89286390) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-methylsulfonylpyridine
PubChem CID89286390
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name5-ethyl-4-methyl-2-methylsulfonylpyridine
SMILESCCc1cnc(S(C)(=O)=O)cc1C
InChIInChI=1S/C9H13NO2S/c1-4-8-6-10-9(5-7(8)2)13(3,11)12/h5-6H,4H2,1-3H3
InChIKeyUOUGOOJWCHCCPE-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 ≤ 500199.27
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 571666
CID 571666
CID 289829
CID 289829
CID 98667
CID 98667
CID 46937403
CID 46937403
CID 5713317
CID 5713317
CID 292487
CID 292487
CID 901953
CID 901953
CID 2820396
CID 2820396
CID 5703047
CID 5703047
CID 5240104
CID 5240104
CID 21099448
CID 21099448
CID 21099514
CID 21099514

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-methylsulfonylpyridine?
The IUPAC name of 5-ethyl-4-methyl-2-methylsulfonylpyridine (CID 89286390) is 5-ethyl-4-methyl-2-methylsulfonylpyridine.
What is the SMILES notation for 5-ethyl-4-methyl-2-methylsulfonylpyridine?
The canonical SMILES for 5-ethyl-4-methyl-2-methylsulfonylpyridine is CCc1cnc(S(C)(=O)=O)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-2-methylsulfonylpyridine?
The InChIKey is UOUGOOJWCHCCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-8-6-10-9(5-7(8)2)13(3,11)12/h5-6H,4H2,1-3H3.
What are the key properties of 5-ethyl-4-methyl-2-methylsulfonylpyridine?
5-ethyl-4-methyl-2-methylsulfonylpyridine has a molecular weight of 199.27 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 5-ethyl-4-methyl-2-methylsulfonylpyridine is sourced from PubChem (CID 89286390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).