1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol

C11H17NO3S — CID 105082567

IUPAC1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCc1cncc(C(O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-9-6-10(8-12-7-9)11(13)4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3
InChIKeyIMCJKHBHGLTEHW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.25
Rot. Bonds5

About 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol

1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol (PubChem CID 105082567) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
PubChem CID105082567
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCc1cncc(C(O)CCCS(C)(=O)=O)c1
InChIInChI=1S/C11H17NO3S/c1-9-6-10(8-12-7-9)11(13)4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3
InChIKeyIMCJKHBHGLTEHW-UHFFFAOYSA-N
XLogP1.25
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-3-pyridinyl)butane-1,4-diol
CID 106677884
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
hydroxy-(5-methyl-3-pyridinyl)methanesulfonic acid
CID 119081791
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
1-(3-bromo-4-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780268
1-(4-chloro-3-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780257
1-(2,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65147990
[1-(3,5-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290938
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 114938017

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol (CID 105082567) is 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol is Cc1cncc(C(O)CCCS(C)(=O)=O)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is IMCJKHBHGLTEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-9-6-10(8-12-7-9)11(13)4-3-5-16(2,14)15/h6-8,11,13H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 105082567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).