2-(4-benzylsulfonylpiperazin-1-yl)ethanol

C13H20N2O3S — CID 669292

IUPAC2-(4-benzylsulfonylpiperazin-1-yl)ethanol
SMILESO=S(=O)(Cc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H20N2O3S/c16-11-10-14-6-8-15(9-7-14)19(17,18)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2
InChIKeyCOIQJAKPPPRCQO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.13
Rot. Bonds5

About 2-(4-benzylsulfonylpiperazin-1-yl)ethanol

2-(4-benzylsulfonylpiperazin-1-yl)ethanol (PubChem CID 669292) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-benzylsulfonylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-benzylsulfonylpiperazin-1-yl)ethanol
PubChem CID669292
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(4-benzylsulfonylpiperazin-1-yl)ethanol
SMILESO=S(=O)(Cc1ccccc1)N1CCN(CCO)CC1
InChIInChI=1S/C13H20N2O3S/c16-11-10-14-6-8-15(9-7-14)19(17,18)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2
InChIKeyCOIQJAKPPPRCQO-UHFFFAOYSA-N
XLogP0.13
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-benzylsulfonylpiperazin-1-yl)ethanol (CID 669292) is 2-(4-benzylsulfonylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-benzylsulfonylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-benzylsulfonylpiperazin-1-yl)ethanol is O=S(=O)(Cc1ccccc1)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-benzylsulfonylpiperazin-1-yl)ethanol?
The InChIKey is COIQJAKPPPRCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-11-10-14-6-8-15(9-7-14)19(17,18)12-13-4-2-1-3-5-13/h1-5,16H,6-12H2.
What are the key properties of 2-(4-benzylsulfonylpiperazin-1-yl)ethanol?
2-(4-benzylsulfonylpiperazin-1-yl)ethanol has a molecular weight of 284.38 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylsulfonylpiperazin-1-yl)ethanol is sourced from PubChem (CID 669292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).