1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone

C14H20N2O3S — CID 63620566

IUPAC1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-10-16(9-8-15(11)3)20(18,19)14-6-4-13(5-7-14)12(2)17/h4-7,11H,8-10H2,1-3H3
InChIKeyDKMQGAIVGPHETG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone

1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone (PubChem CID 63620566) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
PubChem CID63620566
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1
InChIInChI=1S/C14H20N2O3S/c1-11-10-16(9-8-15(11)3)20(18,19)14-6-4-13(5-7-14)12(2)17/h4-7,11H,8-10H2,1-3H3
InChIKeyDKMQGAIVGPHETG-UHFFFAOYSA-N
XLogP1.21
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-4-(4-methylphenyl)sulfonylpiperazine
CID 110707656
1-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 79036967
4-(3,4-dimethylpiperazin-1-yl)sulfonylbenzonitrile
CID 63619441
4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylpiperazine
CID 110707659
1-[4-[(3R)-3-methylsulfanylpiperidin-1-yl]sulfonylphenyl]ethanone
CID 124856123
1-[4-[3-(dimethylamino)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 63222011
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
4-(3-ethyl-4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 63611082
[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]methanamine
CID 106919400
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 6969777

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone (CID 63620566) is 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C)C(C)C2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone?
The InChIKey is DKMQGAIVGPHETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-10-16(9-8-15(11)3)20(18,19)14-6-4-13(5-7-14)12(2)17/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone?
1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone has a molecular weight of 296.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylpiperazin-1-yl)sulfonylphenyl]ethanone is sourced from PubChem (CID 63620566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).