2,3,5-trimethyl-6-methylsulfonylpyridine

C9H13NO2S — CID 91223492

IUPAC2,3,5-trimethyl-6-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)nc1C
InChIInChI=1S/C9H13NO2S/c1-6-5-7(2)9(10-8(6)3)13(4,11)12/h5H,1-4H3
InChIKeyCDNBHPXOIRHCGO-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.41
Rot. Bonds1

About 2,3,5-trimethyl-6-methylsulfonylpyridine

2,3,5-trimethyl-6-methylsulfonylpyridine (PubChem CID 91223492) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2,3,5-trimethyl-6-methylsulfonylpyridine
PubChem CID91223492
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2,3,5-trimethyl-6-methylsulfonylpyridine
SMILESCc1cc(C)c(S(C)(=O)=O)nc1C
InChIInChI=1S/C9H13NO2S/c1-6-5-7(2)9(10-8(6)3)13(4,11)12/h5H,1-4H3
InChIKeyCDNBHPXOIRHCGO-UHFFFAOYSA-N
XLogP1.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3,5-trimethyl-6-methylsulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5-trimethyl-6-propan-2-ylpyridine
CID 89070171
3-fluoro-2,5,6-trimethylpyridine
CID 69005748
4,5-dimethyl-6-methylsulfonylpyrimidin-2-amine
CID 83916145
N,3,5,6-tetramethylpyridin-2-amine
CID 18731726
5-(difluoromethoxy)-3-methyl-2-methylsulfonylpyridine
CID 68858921
2-bromo-5,6-dimethylpyridin-3-ol
CID 130119183
1,3,5-trimethyl-2-methylsulfonylbenzene
CID 577272
2,4,6-trimethyl-3-methylsulfonylbenzenesulfonyl chloride
CID 82276085
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
2,4-dimethyl-5-(3,5,6-trimethyl-2-pyridinyl)-1H-pyrazol-3-one
CID 59946937
2-methyl-5-[(2-methyl-4-methylsulfonylpyrimidin-5-yl)disulfanyl]-4-methylsulfonylpyrimidine
CID 121001138
2,3,5,6-tetramethylbenzenesulfonamide
CID 5028412

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-methylsulfonylpyridine?
The IUPAC name of 2,3,5-trimethyl-6-methylsulfonylpyridine (CID 91223492) is 2,3,5-trimethyl-6-methylsulfonylpyridine.
What is the SMILES notation for 2,3,5-trimethyl-6-methylsulfonylpyridine?
The canonical SMILES for 2,3,5-trimethyl-6-methylsulfonylpyridine is Cc1cc(C)c(S(C)(=O)=O)nc1C.
What is the InChIKey of 2,3,5-trimethyl-6-methylsulfonylpyridine?
The InChIKey is CDNBHPXOIRHCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-6-5-7(2)9(10-8(6)3)13(4,11)12/h5H,1-4H3.
What are the key properties of 2,3,5-trimethyl-6-methylsulfonylpyridine?
2,3,5-trimethyl-6-methylsulfonylpyridine has a molecular weight of 199.27 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-methylsulfonylpyridine is sourced from PubChem (CID 91223492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).