2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

C13H19N3O3S — CID 8742873

IUPAC2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyLGFMHSUBWNDDKJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP-0.21
Rot. Bonds4

About 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (PubChem CID 8742873) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
PubChem CID8742873
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C13H19N3O3S/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17)
InChIKeyLGFMHSUBWNDDKJ-UHFFFAOYSA-N
XLogP-0.21
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 43816576
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119566064
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 26575757
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937
methyl 2-methyl-2-[[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]propanoate
CID 55911424
N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 27125327
N-(2-methylbutan-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8692203
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 110366401
N-[2-(methylamino)ethyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide;dihydrochloride
CID 119501378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide (CID 8742873) is 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is Cc1ccc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
The InChIKey is LGFMHSUBWNDDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-11-2-4-12(5-3-11)20(18,19)16-8-6-15(7-9-16)10-13(14)17/h2-5H,6-10H2,1H3,(H2,14,17).
What are the key properties of 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide?
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide has a molecular weight of 297.38 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide is sourced from PubChem (CID 8742873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).