1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

C12H19NO4S — CID 79610493

IUPAC1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccco2)C1
InChIInChI=1S/C12H19NO4S/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3
InChIKeyTYXJDCSDFVWELP-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.37
Rot. Bonds4

About 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol

1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 79610493) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID79610493
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC Name1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccco2)C1
InChIInChI=1S/C12H19NO4S/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3
InChIKeyTYXJDCSDFVWELP-UHFFFAOYSA-N
XLogP1.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 115820325
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
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-(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
[1-(2-chlorofuran-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 106694587

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 79610493) is 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is TYXJDCSDFVWELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-18(15,16)13-6-2-4-10(9-13)8-11(14)12-5-3-7-17-12/h3,5,7,10-11,14H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 273.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 79610493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).