2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol

C12H20N2O3S2 — CID 71783556

IUPAC2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESCCS(=O)(=O)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-7-5-13(6-8-14)10-11(15)12-4-3-9-18-12/h3-4,9,11,15H,2,5-8,10H2,1H3
InChIKeyYWLVUXJRJDNNQU-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.75
Rot. Bonds5

About 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol

2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (PubChem CID 71783556) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
PubChem CID71783556
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESCCS(=O)(=O)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-7-5-13(6-8-14)10-11(15)12-4-3-9-18-12/h3-4,9,11,15H,2,5-8,10H2,1H3
InChIKeyYWLVUXJRJDNNQU-UHFFFAOYSA-N
XLogP0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783559
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-2-propylpentan-1-one
CID 90603359
2-(4-methylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanamine
CID 115287841
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90603452
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 94658873
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (CID 71783556) is 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is CCS(=O)(=O)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The InChIKey is YWLVUXJRJDNNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-2-19(16,17)14-7-5-13(6-8-14)10-11(15)12-4-3-9-18-12/h3-4,9,11,15H,2,5-8,10H2,1H3.
What are the key properties of 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol has a molecular weight of 304.44 g/mol, XLogP of 0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 71783556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).