1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone

C16H26N4O3S — CID 100785212

IUPAC1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
SMILESCN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O3S/c1-17(2)24(22,23)18(3)14-16(21)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyDFHYOJHZLPUDIN-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.07
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone

1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone (PubChem CID 100785212) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
PubChem CID100785212
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone
SMILESCN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H26N4O3S/c1-17(2)24(22,23)18(3)14-16(21)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyDFHYOJHZLPUDIN-UHFFFAOYSA-N
XLogP0.07
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]ethanone
CID 99946476
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-methyl-3,4-dihydronaphthalene-2-sulfonamide
CID 17473588
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148481
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-N-(4-propan-2-ylphenyl)methanesulfonamide
CID 1135728
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-2-[cyclopentyl(propan-2-yl)amino]ethanone
CID 56570110
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-ethylbenzenesulfonamide
CID 2970012
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
N-benzyl-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 3517149

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone (CID 100785212) is 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone is CN(C)S(=O)(=O)N(C)CC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone?
The InChIKey is DFHYOJHZLPUDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-17(2)24(22,23)18(3)14-16(21)20-11-9-19(10-12-20)13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone?
1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone has a molecular weight of 354.48 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-[dimethylsulfamoyl(methyl)amino]ethanone is sourced from PubChem (CID 100785212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).