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

C13H20N2O3S2 — CID 71783561

IUPAC2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESO=S(=O)(C1CC1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C13H20N2O3S2/c16-12(13-2-1-9-19-13)10-14-5-7-15(8-6-14)20(17,18)11-3-4-11/h1-2,9,11-12,16H,3-8,10H2
InChIKeyPIOLGYBNWKRCCE-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.89
Rot. Bonds5

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

2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (PubChem CID 71783561) has the molecular formula C13H20N2O3S2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
PubChem CID71783561
Molecular FormulaC13H20N2O3S2
Molecular Weight316.45 g/mol
Exact Mass316.09
IUPAC Name2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESO=S(=O)(C1CC1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C13H20N2O3S2/c16-12(13-2-1-9-19-13)10-14-5-7-15(8-6-14)20(17,18)11-3-4-11/h1-2,9,11-12,16H,3-8,10H2
InChIKeyPIOLGYBNWKRCCE-UHFFFAOYSA-N
XLogP0.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783556
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
2-cyclopentyl-1-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]ethanone
CID 94658858
cyclohex-3-en-1-yl-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 71783014
N-cyclohexyl-2-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide;dihydrochloride
CID 71783389
(E)-1-[4-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 94658848
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
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-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (CID 71783561) is 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is O=S(=O)(C1CC1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The InChIKey is PIOLGYBNWKRCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S2/c16-12(13-2-1-9-19-13)10-14-5-7-15(8-6-14)20(17,18)11-3-4-11/h1-2,9,11-12,16H,3-8,10H2.
What are the key properties of 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol has a molecular weight of 316.45 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 71783561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).