1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine

C16H20N2O3S2 — CID 1091553

IUPAC1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O3S2/c1-2-21-15-7-4-3-6-14(15)17-9-11-18(12-10-17)23(19,20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3
InChIKeyYCWAJADYBSNMAU-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine

1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 1091553) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
PubChem CID1091553
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine
SMILESCCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C16H20N2O3S2/c1-2-21-15-7-4-3-6-14(15)17-9-11-18(12-10-17)23(19,20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3
InChIKeyYCWAJADYBSNMAU-UHFFFAOYSA-N
XLogP2.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine (CID 1091553) is 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine is CCOc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is YCWAJADYBSNMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-2-21-15-7-4-3-6-14(15)17-9-11-18(12-10-17)23(19,20)16-8-5-13-22-16/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine?
1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 352.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 1091553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).