1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol

C9H13NO3S — CID 115609857

IUPAC1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
SMILESCc1ccc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C9H13NO3S/c1-7-3-4-8(5-10-7)9(11)6-14(2,12)13/h3-5,9,11H,6H2,1-2H3
InChIKeyFKCJJBBNGHVFTL-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.47
Rot. Bonds3

About 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol

1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol (PubChem CID 115609857) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
PubChem CID115609857
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
SMILESCc1ccc(C(O)CS(C)(=O)=O)cn1
InChIInChI=1S/C9H13NO3S/c1-7-3-4-8(5-10-7)9(11)6-14(2,12)13/h3-5,9,11H,6H2,1-2H3
InChIKeyFKCJJBBNGHVFTL-UHFFFAOYSA-N
XLogP0.47
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
[1-(6-methyl-3-pyridinyl)-4-methylsulfonylbutyl]hydrazine
CID 105290849
imino-methyl-[1-(6-methyl-3-pyridinyl)ethyl]-oxo-λ6-sulfane
CID 58206002
1-(6-methyl-3-pyridinyl)-2-[[4-(methylsulfonylmethyl)oxan-4-yl]methylamino]ethanol
CID 167919276
1-(3,4-diethylphenyl)-2-methylsulfonylethanol
CID 113319164
3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
1,5-bis(6-methyl-3-pyridinyl)-1,5-bis(4-methylsulfonylphenyl)pentan-3-one
CID 174383203
1-(6-methyl-3-pyridinyl)propane-1,2,3-triol
CID 170817362
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 105096922
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol (CID 115609857) is 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol is Cc1ccc(C(O)CS(C)(=O)=O)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol?
The InChIKey is FKCJJBBNGHVFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-3-4-8(5-10-7)9(11)6-14(2,12)13/h3-5,9,11H,6H2,1-2H3.
What are the key properties of 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol?
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol has a molecular weight of 215.27 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol is sourced from PubChem (CID 115609857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).