4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine

C11H17NO2S — CID 59574840

IUPAC4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine
SMILESCC(C)(C)Cc1ccncc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)7-9-5-6-12-8-10(9)15(4,13)14/h5-6,8H,7H2,1-4H3
InChIKeyIZGGMGMMIOLVLN-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.07
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine

4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine (PubChem CID 59574840) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine
PubChem CID59574840
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine
SMILESCC(C)(C)Cc1ccncc1S(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)7-9-5-6-12-8-10(9)15(4,13)14/h5-6,8H,7H2,1-4H3
InChIKeyIZGGMGMMIOLVLN-UHFFFAOYSA-N
XLogP2.07
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine (CID 59574840) is 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine is CC(C)(C)Cc1ccncc1S(C)(=O)=O.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine?
The InChIKey is IZGGMGMMIOLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)7-9-5-6-12-8-10(9)15(4,13)14/h5-6,8H,7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine?
4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine has a molecular weight of 227.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-methylsulfonylpyridine is sourced from PubChem (CID 59574840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).