1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

C13H18N2O3S — CID 882306

IUPAC1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
InChIKeyRSIVSBAWSQRGLN-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.85
Rot. Bonds2

About 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 882306) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID882306
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3
InChIKeyRSIVSBAWSQRGLN-UHFFFAOYSA-N
XLogP0.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-(4-Methylbenzenesulfonyl)piperazine
CID 704295
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
1-tosyl-1H-pyrrol-2(5H)-one
CID 13427336
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894343
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4-methylbenzenesulfonamide
CID 934541
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
N-ethyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 2991053
2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4787641
4-((2,4-Dimethylphenyl)sulfonyl)piperazin-2-one
CID 8321458

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone (CID 882306) is 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is RSIVSBAWSQRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-11-3-5-13(6-4-11)19(17,18)15-9-7-14(8-10-15)12(2)16/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone?
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 282.37 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 882306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).