2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone

C17H27N3O3S — CID 131889644

IUPAC2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C17H27N3O3S/c1-5-24(22,23)20-12-10-19(11-13-20)17(21)16(18(3)4)15-8-6-14(2)7-9-15/h6-9,16H,5,10-13H2,1-4H3
InChIKeyUHZIZSHOCOLIDC-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.09
Rot. Bonds5

About 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone

2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone (PubChem CID 131889644) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
PubChem CID131889644
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1
InChIInChI=1S/C17H27N3O3S/c1-5-24(22,23)20-12-10-19(11-13-20)17(21)16(18(3)4)15-8-6-14(2)7-9-15/h6-9,16H,5,10-13H2,1-4H3
InChIKeyUHZIZSHOCOLIDC-UHFFFAOYSA-N
XLogP1.09
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97143263
(2R)-2-(dimethylamino)-1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 97200788
(2R)-2-(dimethylamino)-1-(4-ethoxypiperidin-1-yl)-2-(4-methylphenyl)ethanone
CID 97129286
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631
(2S)-2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 97140521
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 72859084
N-methyl-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 133187649
2-(dimethylamino)-2-(4-methylphenyl)-1-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 91775854
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
4-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-carboxamide
CID 97116910

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone (CID 131889644) is 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone is CCS(=O)(=O)N1CCN(C(=O)C(c2ccc(C)cc2)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone?
The InChIKey is UHZIZSHOCOLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-5-24(22,23)20-12-10-19(11-13-20)17(21)16(18(3)4)15-8-6-14(2)7-9-15/h6-9,16H,5,10-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone?
2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone has a molecular weight of 353.49 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-ethylsulfonylpiperazin-1-yl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 131889644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).