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

C17H21ClN2O2S2 — CID 6603683

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S2.ClH/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;1H/b8-4+;
InChIKeyHZQIEVCRAFDNSB-ZFXMFRGYSA-N
MW384.95 g/mol
LogP3.19
Rot. Bonds5

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

1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride (PubChem CID 6603683) has the molecular formula C17H21ClN2O2S2 and a molecular weight of 384.95 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
PubChem CID6603683
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.95 g/mol
Exact Mass384.07
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H20N2O2S2.ClH/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;1H/b8-4+;
InChIKeyHZQIEVCRAFDNSB-ZFXMFRGYSA-N
XLogP3.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.95
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
CID 991812
(E)-N-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-3-phenylprop-2-enamide
CID 9496389
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 23770821
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride (CID 6603683) is 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is HZQIEVCRAFDNSB-ZFXMFRGYSA-N. The full InChI is InChI=1S/C17H20N2O2S2.ClH/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;1H/b8-4+;.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride?
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride has a molecular weight of 384.95 g/mol, XLogP of 3.19, 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;hydrochloride is sourced from PubChem (CID 6603683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).