1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one

C18H28N2O3S — CID 110817632

IUPAC1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O3S/c1-5-6-7-17(21)19-8-10-20(11-9-19)24(22,23)18-15(3)12-14(2)13-16(18)4/h12-13H,5-11H2,1-4H3
InChIKeyHHYGOPIKIOLPPV-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.63
Rot. Bonds5

About 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one

1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one (PubChem CID 110817632) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
PubChem CID110817632
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H28N2O3S/c1-5-6-7-17(21)19-8-10-20(11-9-19)24(22,23)18-15(3)12-14(2)13-16(18)4/h12-13H,5-11H2,1-4H3
InChIKeyHHYGOPIKIOLPPV-UHFFFAOYSA-N
XLogP2.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 17191316
5-(dithiolan-3-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 24640317
1-[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 110817640
3-(3,5-dimethylpyrazol-1-yl)-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2981929
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
2,5-dimethyl-4-(4-pentanoylpiperazin-1-yl)sulfonylfuran-3-carboxylic acid
CID 119227712
1-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]pentan-1-one
CID 110797265
cis-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230282
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 71904260
4-pentanoylpiperazine-1-sulfonamide
CID 61072587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one (CID 110817632) is 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one is CCCCC(=O)N1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
The InChIKey is HHYGOPIKIOLPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-5-6-7-17(21)19-8-10-20(11-9-19)24(22,23)18-15(3)12-14(2)13-16(18)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one?
1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one has a molecular weight of 352.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pentan-1-one is sourced from PubChem (CID 110817632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).