2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol

C15H19N3O3S2 — CID 71783559

IUPAC2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESO=S(=O)(c1cccnc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C15H19N3O3S2/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2
InChIKeyOPKJNOBMFHZFAP-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.18
Rot. Bonds5

About 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (PubChem CID 71783559) has the molecular formula C15H19N3O3S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
PubChem CID71783559
Molecular FormulaC15H19N3O3S2
Molecular Weight353.47 g/mol
Exact Mass353.09
IUPAC Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
SMILESO=S(=O)(c1cccnc1)N1CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C15H19N3O3S2/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2
InChIKeyOPKJNOBMFHZFAP-UHFFFAOYSA-N
XLogP1.18
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783556
1-pyridin-3-ylsulfonyl-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 131936945
2-(4-cyclopropylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 71783561
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
2-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethanol
CID 82026679
2-pyrrolidin-1-yl-1-thiophen-2-ylethanol
CID 55212055
1-(2,5-dichlorophenoxy)-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 55629803
2-[4-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]piperazin-1-yl]acetamide
CID 97039057
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol (CID 71783559) is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The canonical SMILES for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is O=S(=O)(c1cccnc1)N1CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
The InChIKey is OPKJNOBMFHZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S2/c19-14(15-4-2-10-22-15)12-17-6-8-18(9-7-17)23(20,21)13-3-1-5-16-11-13/h1-5,10-11,14,19H,6-9,12H2.
What are the key properties of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol?
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol has a molecular weight of 353.47 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-thiophen-2-ylethanol is sourced from PubChem (CID 71783559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).