1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine

C17H20N2O2S2 — CID 939712

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S2/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+
InChIKeyFQEAUZGLCDVOOY-XBXARRHUSA-N
MW348.49 g/mol
LogP2.77
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine

1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine (PubChem CID 939712) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine
PubChem CID939712
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S2/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+
InChIKeyFQEAUZGLCDVOOY-XBXARRHUSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine (CID 939712) is 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine is O=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine?
The InChIKey is FQEAUZGLCDVOOY-XBXARRHUSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-23(21,17-9-5-15-22-17)19-13-11-18(12-14-19)10-4-8-16-6-2-1-3-7-16/h1-9,15H,10-14H2/b8-4+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine?
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine has a molecular weight of 348.49 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine is sourced from PubChem (CID 939712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).