2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol

C14H22N2O3S — CID 61150559

IUPAC2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
SMILESCCS(=O)(=O)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-20(18,19)14-6-4-3-5-13(14)16-9-7-15(8-10-16)11-12-17/h3-6,17H,2,7-12H2,1H3
InChIKeyQRKFSOFIYBHHRA-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.59
Rot. Bonds5

About 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol

2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol (PubChem CID 61150559) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
PubChem CID61150559
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol
SMILESCCS(=O)(=O)c1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C14H22N2O3S/c1-2-20(18,19)14-6-4-3-5-13(14)16-9-7-15(8-10-16)11-12-17/h3-6,17H,2,7-12H2,1H3
InChIKeyQRKFSOFIYBHHRA-UHFFFAOYSA-N
XLogP0.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol (CID 61150559) is 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol is CCS(=O)(=O)c1ccccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol?
The InChIKey is QRKFSOFIYBHHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-20(18,19)14-6-4-3-5-13(14)16-9-7-15(8-10-16)11-12-17/h3-6,17H,2,7-12H2,1H3.
What are the key properties of 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol?
2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol has a molecular weight of 298.41 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylsulfonylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 61150559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).