2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol

C11H17NO4S — CID 167144940

IUPAC2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol
SMILESCc1ncc(OCC(C)(C)O)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-8-10(17(4,14)15)5-9(6-12-8)16-7-11(2,3)13/h5-6,13H,7H2,1-4H3
InChIKeyJWHIYYVYZIUQBQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.94
Rot. Bonds4

About 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol

2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol (PubChem CID 167144940) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol
PubChem CID167144940
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol
SMILESCc1ncc(OCC(C)(C)O)cc1S(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-8-10(17(4,14)15)5-9(6-12-8)16-7-11(2,3)13/h5-6,13H,7H2,1-4H3
InChIKeyJWHIYYVYZIUQBQ-UHFFFAOYSA-N
XLogP0.94
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-methyl-3-methylsulfonylpyridine
CID 167144951
2-methyl-1-[(6-methyl-3-pyridinyl)oxy]propan-2-ol
CID 129451823
2-methyl-1-(3-methylsulfonylphenoxy)propan-2-ol
CID 60878036
6-methyl-5-methylsulfonylpyridine-3-carboxylic acid
CID 163300955
5-(2-hydroxy-2-methylpropoxy)pyridine-3-carboxylic acid
CID 63851857
1-(3,5-dimethoxyphenoxy)-2-methylpropan-2-ol
CID 60878602
3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)pyridine
CID 162401320
1-(3,4-dimethylphenoxy)-2-methylpropan-2-ol
CID 60878783
2-tert-butyl-3-methylsulfonyl-5-(trifluoromethoxy)pyridine
CID 171456693
5-(2-hydroxy-2-methylpropoxy)-2,3-dihydroinden-1-one
CID 104985826
4-(2-hydroxy-2-methylpropoxy)-3,5-dimethylbenzaldehyde
CID 60884438
1-[4-(hydroxymethyl)phenoxy]-2-methylpropan-2-ol
CID 60884005

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol?
The IUPAC name of 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol (CID 167144940) is 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol is Cc1ncc(OCC(C)(C)O)cc1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol?
The InChIKey is JWHIYYVYZIUQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-8-10(17(4,14)15)5-9(6-12-8)16-7-11(2,3)13/h5-6,13H,7H2,1-4H3.
What are the key properties of 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol?
2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol has a molecular weight of 259.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-methyl-5-methylsulfonyl-3-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 167144940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).