4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol

C10H15NO3S — CID 63192618

IUPAC4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cccnc1
InChIInChI=1S/C10H15NO3S/c1-15(13,14)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10,12H,3,5,7H2,1H3
InChIKeyQHKJPTMHSUNLJR-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.94
Rot. Bonds5

About 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol

4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol (PubChem CID 63192618) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
PubChem CID63192618
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)c1cccnc1
InChIInChI=1S/C10H15NO3S/c1-15(13,14)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10,12H,3,5,7H2,1H3
InChIKeyQHKJPTMHSUNLJR-UHFFFAOYSA-N
XLogP0.94
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 65098166
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
1-(5-methyl-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082567
1-(3-chloro-4-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082589
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 114938017
4-methylsulfonyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 55160995
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
3-methylsulfonyl-1-pyridazin-4-ylpropan-1-ol
CID 114983817
1-[3-(dimethylamino)phenyl]-4-methylsulfonylbutan-1-ol
CID 105082550
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
3-[3-methylsulfonyl-1-(oxetan-3-yl)propyl]pyridine
CID 175708533

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol (CID 63192618) is 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol is CS(=O)(=O)CCCC(O)c1cccnc1.
What is the InChIKey of 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The InChIKey is QHKJPTMHSUNLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-15(13,14)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10,12H,3,5,7H2,1H3.
What are the key properties of 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol?
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol has a molecular weight of 229.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 63192618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).