1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine

C17H24N4O2S — CID 56883312

IUPAC1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
SMILESCCCn1ccnc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-9-20-10-8-18-17(20)15-19-11-13-21(14-12-19)24(22,23)16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3
InChIKeyRCZLATUJSOOICJ-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.80
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine

1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine (PubChem CID 56883312) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
PubChem CID56883312
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
SMILESCCCn1ccnc1CN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-9-20-10-8-18-17(20)15-19-11-13-21(14-12-19)24(22,23)16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3
InChIKeyRCZLATUJSOOICJ-UHFFFAOYSA-N
XLogP1.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561892
1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561896
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440
1-(benzenesulfonyl)-4-[(2-butyl-1H-imidazol-5-yl)methyl]piperazine
CID 56906121
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561902
6-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46673823
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]quinoxaline
CID 56893355

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine (CID 56883312) is 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine is CCCn1ccnc1CN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine?
The InChIKey is RCZLATUJSOOICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-9-20-10-8-18-17(20)15-19-11-13-21(14-12-19)24(22,23)16-6-4-3-5-7-16/h3-8,10H,2,9,11-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine?
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine is sourced from PubChem (CID 56883312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).