4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol

C11H17NO3S — CID 65098166

IUPAC4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1cccnc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11,13H,2,4,6,8H2,1H3
InChIKeyQCCQJOYCDMGAGS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.33
Rot. Bonds6

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

4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol (PubChem CID 65098166) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol.

Molecular Properties

Compound Name4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
PubChem CID65098166
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol
SMILESCCS(=O)(=O)CCCC(O)c1cccnc1
InChIInChI=1S/C11H17NO3S/c1-2-16(14,15)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11,13H,2,4,6,8H2,1H3
InChIKeyQCCQJOYCDMGAGS-UHFFFAOYSA-N
XLogP1.33
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
5-ethylsulfonyl-1-phenylpentan-1-ol
CID 65095328
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
1-[4-(difluoromethyl)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115524970
1-(3-bromo-2-pyridinyl)-4-ethylsulfonylbutan-1-ol
CID 113398312
1-[3-(difluoromethoxy)phenyl]-4-ethylsulfonylbutan-1-ol
CID 115803658
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
4-ethylsulfonyl-1-pyrimidin-4-ylbutan-1-ol
CID 65095491
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
(1S)-2-(methylamino)-1-pyridin-3-ylethanol
CID 10171254
tert-butyl N-[(4S)-4-hydroxy-4-pyridin-3-ylbutyl]carbamate
CID 164578067
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The IUPAC name of 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol (CID 65098166) is 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol.
What is the SMILES notation for 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The canonical SMILES for 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol is CCS(=O)(=O)CCCC(O)c1cccnc1.
What is the InChIKey of 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol?
The InChIKey is QCCQJOYCDMGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-2-16(14,15)8-4-6-11(13)10-5-3-7-12-9-10/h3,5,7,9,11,13H,2,4,6,8H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol?
4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-pyridin-3-ylbutan-1-ol is sourced from PubChem (CID 65098166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).