1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine

C16H22N4O2S — CID 90533564

IUPAC1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,14-16-4-2-1-3-5-16)20-12-10-18(11-13-20)8-9-19-7-6-17-15-19/h1-7,15H,8-14H2
InChIKeyHSPVINQNKCHKNX-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.03
Rot. Bonds6

About 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine

1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine (PubChem CID 90533564) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine.

Molecular Properties

Compound Name1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
PubChem CID90533564
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC Name1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
SMILESO=S(=O)(Cc1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,14-16-4-2-1-3-5-16)20-12-10-18(11-13-20)8-9-19-7-6-17-15-19/h1-7,15H,8-14H2
InChIKeyHSPVINQNKCHKNX-UHFFFAOYSA-N
XLogP1.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine 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-[(3-fluorophenyl)methylsulfonyl]-4-(2-imidazol-1-ylethyl)piperazine
CID 90533594
2-(4-benzylsulfonylpiperazin-1-yl)ethanamine
CID 43252222
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-benzylsulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 55627851
1-(2-imidazol-1-ylethyl)-4-(4-methoxyphenyl)sulfonylpiperazine
CID 90533550
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
1-benzylsulfonyl-4-[3-(4-fluorophenyl)propyl]piperazine
CID 110413693
1-(4-ethoxyphenyl)sulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533570
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884
1-[(3-fluorophenyl)methylsulfonyl]-4-(2-pyrazol-1-ylethyl)piperazine
CID 121094988
4-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 90533496

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The IUPAC name of 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine (CID 90533564) is 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine.
What is the SMILES notation for 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The canonical SMILES for 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine is O=S(=O)(Cc1ccccc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
The InChIKey is HSPVINQNKCHKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-23(22,14-16-4-2-1-3-5-16)20-12-10-18(11-13-20)8-9-19-7-6-17-15-19/h1-7,15H,8-14H2.
What are the key properties of 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine?
1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine has a molecular weight of 334.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine is sourced from PubChem (CID 90533564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).