1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol

C11H17NO4S — CID 114938017

IUPAC1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ccc(C(O)CCCS(C)(=O)=O)cn1
InChIInChI=1S/C11H17NO4S/c1-16-11-6-5-9(8-12-11)10(13)4-3-7-17(2,14)15/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyQUOVKVIEELQTAV-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.95
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol

1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol (PubChem CID 114938017) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
PubChem CID114938017
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ccc(C(O)CCCS(C)(=O)=O)cn1
InChIInChI=1S/C11H17NO4S/c1-16-11-6-5-9(8-12-11)10(13)4-3-7-17(2,14)15/h5-6,8,10,13H,3-4,7H2,1-2H3
InChIKeyQUOVKVIEELQTAV-UHFFFAOYSA-N
XLogP0.95
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
4-methoxy-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-ol
CID 103035297
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
1-(6-methoxynaphthalen-2-yl)-4-methylsulfonylbutan-1-ol
CID 65148541
2-ethoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937958
[(2S)-2-hydroxy-2-(6-methoxy-3-pyridinyl)ethyl] 4-methylbenzenesulfonate
CID 87185696
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191309
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
1-(3,4-dimethylphenyl)-4-methylsulfonylbutan-1-ol
CID 65148500
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
CID 105082597
1-(6-methoxy-3-pyridinyl)-2-methylpropane-1,2-diol
CID 58380617

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol (CID 114938017) is 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol is COc1ccc(C(O)CCCS(C)(=O)=O)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is QUOVKVIEELQTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-11-6-5-9(8-12-11)10(13)4-3-7-17(2,14)15/h5-6,8,10,13H,3-4,7H2,1-2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 259.33 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 114938017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).