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

C14H20INO3S — CID 115820325

IUPAC1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccccc2I)C1
InChIInChI=1S/C14H20INO3S/c1-20(18,19)16-8-4-5-11(10-16)9-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3
InChIKeyQUGGRERHURVCQJ-UHFFFAOYSA-N
MW409.29 g/mol
LogP2.39
Rot. Bonds4

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

1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (PubChem CID 115820325) has the molecular formula C14H20INO3S and a molecular weight of 409.29 g/mol. Its IUPAC name is 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
PubChem CID115820325
Molecular FormulaC14H20INO3S
Molecular Weight409.29 g/mol
Exact Mass409.02
IUPAC Name1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
SMILESCS(=O)(=O)N1CCCC(CC(O)c2ccccc2I)C1
InChIInChI=1S/C14H20INO3S/c1-20(18,19)16-8-4-5-11(10-16)9-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3
InChIKeyQUGGRERHURVCQJ-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylsulfonylpiperidin-3-yl)-1-thiophen-2-ylethanol
CID 79612108
1-(furan-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79610493
1-(4-fluoro-2-methylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609526
2-[1-hydrazinyl-2-(1-methylsulfonylpiperidin-3-yl)ethyl]aniline
CID 105223840
1-(2-ethylphenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
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1-(5-chlorofuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 106693883
2-(1-methylsulfonylpiperidin-3-yl)-1-pyridazin-4-ylethanol
CID 105113315
1-(3,5-dichlorophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79609528
1-(1-methylsulfonylpiperidin-3-yl)-3-phenylsulfanylpropan-2-ol
CID 79609797
1-(5-ethylfuran-2-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol
CID 79613154
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol (CID 115820325) is 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is CS(=O)(=O)N1CCCC(CC(O)c2ccccc2I)C1.
What is the InChIKey of 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
The InChIKey is QUGGRERHURVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO3S/c1-20(18,19)16-8-4-5-11(10-16)9-14(17)12-6-2-3-7-13(12)15/h2-3,6-7,11,14,17H,4-5,8-10H2,1H3.
What are the key properties of 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol?
1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol has a molecular weight of 409.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-2-(1-methylsulfonylpiperidin-3-yl)ethanol is sourced from PubChem (CID 115820325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).