1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium

C20H25N2O3S+ — CID 8748510

IUPAC1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
SMILESO=S(=O)(/C=C/c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-26(24,18-11-19-7-3-1-4-8-19)22-14-12-21(13-15-22)16-17-25-20-9-5-2-6-10-20/h1-11,18H,12-17H2/p+1/b18-11+
InChIKeyHCKLSECUFOWUIB-WOJGMQOQSA-O
MW373.50 g/mol
LogP1.27
Rot. Bonds7

About 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium

1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium (PubChem CID 8748510) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
PubChem CID8748510
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
SMILESO=S(=O)(/C=C/c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3S/c23-26(24,18-11-19-7-3-1-4-8-19)22-14-12-21(13-15-22)16-17-25-20-9-5-2-6-10-20/h1-11,18H,12-17H2/p+1/b18-11+
InChIKeyHCKLSECUFOWUIB-WOJGMQOQSA-O
XLogP1.27
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylphenoxy)ethyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8748482
1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
CID 18624669
(3aR,7aS)-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7911254
2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8748979
5-phenyl-2-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazole
CID 8748661
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(2-phenoxyethyl)piperazin-4-ium
CID 9257795
1-(2,4-difluorophenyl)sulfonyl-4-(2-phenoxyethyl)piperazin-4-ium
CID 7223673
1-[(5-chloro-2-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium
CID 8689650
1-(4-methylpiperidin-1-yl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanone
CID 8748879
1-phenyl-4-(2-phenylethenylsulfonyl)piperazine
CID 877215
3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 2475442
3-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethoxy]benzonitrile
CID 9333265

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium?
The IUPAC name of 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium (CID 8748510) is 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium.
What is the SMILES notation for 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium?
The canonical SMILES for 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium is O=S(=O)(/C=C/c1ccccc1)N1CC[NH+](CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium?
The InChIKey is HCKLSECUFOWUIB-WOJGMQOQSA-O. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,18-11-19-7-3-1-4-8-19)22-14-12-21(13-15-22)16-17-25-20-9-5-2-6-10-20/h1-11,18H,12-17H2/p+1/b18-11+.
What are the key properties of 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium?
1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium has a molecular weight of 373.50 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium is sourced from PubChem (CID 8748510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).