1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol

C11H17NO4S — CID 105082597

IUPAC1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ncccc1C(O)CCCS(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-16-11-9(5-3-7-12-11)10(13)6-4-8-17(2,14)15/h3,5,7,10,13H,4,6,8H2,1-2H3
InChIKeyRQSBLGILXYVSPM-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.95
Rot. Bonds6

About 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol

1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol (PubChem CID 105082597) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
PubChem CID105082597
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol
SMILESCOc1ncccc1C(O)CCCS(C)(=O)=O
InChIInChI=1S/C11H17NO4S/c1-16-11-9(5-3-7-12-11)10(13)6-4-8-17(2,14)15/h3,5,7,10,13H,4,6,8H2,1-2H3
InChIKeyRQSBLGILXYVSPM-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

1-(2-methoxy-3-pyridinyl)hex-5-yn-1-ol
CID 105124708
4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
CID 105082611
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
4-ethylsulfonyl-1-(2-methoxy-3-pyridinyl)-N-methylbutan-1-amine
CID 105152636
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
1-(5-bromo-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 65145489
2,3-dihydroxy-3-(2-methoxy-3-pyridinyl)propanoic acid
CID 170823762
1-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
1-(2-methoxy-3-pyridinyl)ethyl methanesulfonate
CID 131853710
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
4-methylsulfonyl-1-pyridin-3-ylbutan-1-ol
CID 63192618
2-cyclobutyl-1-(2-methoxy-3-pyridinyl)ethanol
CID 105100853

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol (CID 105082597) is 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol is COc1ncccc1C(O)CCCS(C)(=O)=O.
What is the InChIKey of 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is RQSBLGILXYVSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-16-11-9(5-3-7-12-11)10(13)6-4-8-17(2,14)15/h3,5,7,10,13H,4,6,8H2,1-2H3.
What are the key properties of 1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol?
1-(2-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-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 105082597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).