1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol

C10H15NO3S — CID 66460328

IUPAC1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
SMILESCc1ccc(CC(O)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H15NO3S/c1-8-3-4-9(11-6-8)5-10(12)7-15(2,13)14/h3-4,6,10,12H,5,7H2,1-2H3
InChIKeyDWBUMSVUOHATEB-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.34
Rot. Bonds4

About 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol

1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol (PubChem CID 66460328) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
PubChem CID66460328
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol
SMILESCc1ccc(CC(O)CS(C)(=O)=O)nc1
InChIInChI=1S/C10H15NO3S/c1-8-3-4-9(11-6-8)5-10(12)7-15(2,13)14/h3-4,6,10,12H,5,7H2,1-2H3
InChIKeyDWBUMSVUOHATEB-UHFFFAOYSA-N
XLogP0.34
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-amine
CID 66446140
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
2-(2-chloro-3-methylsulfonylbutyl)-5-methylpyridine
CID 104522954
1-(2,5-dimethylphenyl)-3-methylsulfonylpropan-2-ol
CID 62472724
1-(5-methyl-2-pyridinyl)-4-phenylbutan-2-ol
CID 66458905
3,3-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-ol
CID 66459924
1-(2-chloro-4-methylphenyl)-3-methylsulfonylpropan-2-ol
CID 106868016
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
(3E)-3-ethenyl-1-(5-methyl-2-pyridinyl)hexa-3,5-dien-2-ol
CID 144927481
1-methylsulfonyl-3-pyridin-3-ylpropan-2-ol
CID 115832186
5-methyl-N-(1-methylsulfonylpropan-2-yl)pyridin-2-amine
CID 64642249
1,1-dicyclopropyl-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 112745195

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol?
The IUPAC name of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol (CID 66460328) is 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol is Cc1ccc(CC(O)CS(C)(=O)=O)nc1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol?
The InChIKey is DWBUMSVUOHATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-8-3-4-9(11-6-8)5-10(12)7-15(2,13)14/h3-4,6,10,12H,5,7H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol?
1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol has a molecular weight of 229.30 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)-3-methylsulfonylpropan-2-ol is sourced from PubChem (CID 66460328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).