2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine

C11H17NO3S — CID 157074482

IUPAC2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine
SMILESCOc1ncc(C(C)C)cc1CS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-8(2)9-5-10(7-16(4,13)14)11(15-3)12-6-9/h5-6,8H,7H2,1-4H3
InChIKeyACUUFILKQDRNQU-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.76
Rot. Bonds4

About 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine

2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine (PubChem CID 157074482) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine.

Molecular Properties

Compound Name2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine
PubChem CID157074482
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine
SMILESCOc1ncc(C(C)C)cc1CS(C)(=O)=O
InChIInChI=1S/C11H17NO3S/c1-8(2)9-5-10(7-16(4,13)14)11(15-3)12-6-9/h5-6,8H,7H2,1-4H3
InChIKeyACUUFILKQDRNQU-UHFFFAOYSA-N
XLogP1.76
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine?
The IUPAC name of 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine (CID 157074482) is 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine.
What is the SMILES notation for 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine?
The canonical SMILES for 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine is COc1ncc(C(C)C)cc1CS(C)(=O)=O.
What is the InChIKey of 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine?
The InChIKey is ACUUFILKQDRNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-8(2)9-5-10(7-16(4,13)14)11(15-3)12-6-9/h5-6,8H,7H2,1-4H3.
What are the key properties of 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine?
2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine has a molecular weight of 243.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(methylsulfonylmethyl)-5-propan-2-ylpyridine is sourced from PubChem (CID 157074482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).