2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone

C17H27N3O3S — CID 53281969

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
SMILESCc1ccc(C)c(N(CC(=O)N2CCCCC2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-14-8-9-15(2)16(12-14)20(24(22,23)18(3)4)13-17(21)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyBYDZPXTUTJORGJ-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.93
Rot. Bonds5

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone (PubChem CID 53281969) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
PubChem CID53281969
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
SMILESCc1ccc(C)c(N(CC(=O)N2CCCCC2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H27N3O3S/c1-14-8-9-15(2)16(12-14)20(24(22,23)18(3)4)13-17(21)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11,13H2,1-4H3
InChIKeyBYDZPXTUTJORGJ-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94028182
ethyl 4-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]piperazine-1-carboxylate
CID 92663813
1-(4-benzylpiperazin-1-yl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]ethanone
CID 99946476
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1339263
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
2-[N-(dimethylsulfamoyl)anilino]-1-pyrrolidin-1-ylethanone
CID 1289654
ethyl 4-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]piperazine-1-carboxylate
CID 1085929
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
CID 92663790
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 18890955
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
N-butyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53282051

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone (CID 53281969) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone is Cc1ccc(C)c(N(CC(=O)N2CCCCC2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone?
The InChIKey is BYDZPXTUTJORGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-14-8-9-15(2)16(12-14)20(24(22,23)18(3)4)13-17(21)19-10-6-5-7-11-19/h8-9,12H,5-7,10-11,13H2,1-4H3.
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone has a molecular weight of 353.49 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 53281969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).