2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol

C12H19N3O3S — CID 105113315

IUPAC2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccnnc2)C1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-6-2-3-10(9-15)7-12(16)11-4-5-13-14-8-11/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3
InChIKeyWXNHDULNMLVWCM-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.57
Rot. Bonds4

About 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol

2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol (PubChem CID 105113315) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol.

Molecular Properties

Compound Name2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
PubChem CID105113315
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccnnc2)C1
InChIInChI=1S/C12H19N3O3S/c1-19(17,18)15-6-2-3-10(9-15)7-12(16)11-4-5-13-14-8-11/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3
InChIKeyWXNHDULNMLVWCM-UHFFFAOYSA-N
XLogP0.57
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988
1-(3-bromo-4-chlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115566596
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
2-hydroxy-3-(1-methylsulfonylpiperidin-3-yl)propanal
CID 79612122
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol?
The IUPAC name of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol (CID 105113315) is 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol.
What is the SMILES notation for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol?
The canonical SMILES for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol is CS(=O)(=O)N1CCCC(CC(O)c2ccnnc2)C1.
What is the InChIKey of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol?
The InChIKey is WXNHDULNMLVWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-19(17,18)15-6-2-3-10(9-15)7-12(16)11-4-5-13-14-8-11/h4-5,8,10,12,16H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol?
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol has a molecular weight of 285.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol is sourced from PubChem (CID 105113315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).