2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

C18H29N3O3S — CID 94028182

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-14-8-9-16(3)17(11-14)21(25(23,24)19(4)5)13-18(22)20-10-6-7-15(2)12-20/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m0/s1
InChIKeyOKYPTYALPISGFK-HNNXBMFYSA-N
MW367.52 g/mol
LogP2.17
Rot. Bonds5

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 94028182) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID94028182
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCc1ccc(C)c(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O3S/c1-14-8-9-16(3)17(11-14)21(25(23,24)19(4)5)13-18(22)20-10-6-7-15(2)12-20/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m0/s1
InChIKeyOKYPTYALPISGFK-HNNXBMFYSA-N
XLogP2.17
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-piperidin-1-ylethanone
CID 53281969
ethyl 4-[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]piperazine-1-carboxylate
CID 92663813
N-(2,5-dimethylphenyl)-4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1339263
1-(4-benzylpiperazin-1-yl)-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]ethanone
CID 99946476
N-(2,5-dimethylphenyl)-N-[[4-(3-methylpiperidine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 133202157
N-cyclohexyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281968
N-butan-2-yl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 53281939
N-(2,5-dimethylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142126
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
N-(2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113144969
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 51343926
2-(2-amino-5-methylphenyl)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 99991754

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 94028182) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone is Cc1ccc(C)c(N(CC(=O)N2CCC[C@H](C)C2)S(=O)(=O)N(C)C)c1.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is OKYPTYALPISGFK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-14-8-9-16(3)17(11-14)21(25(23,24)19(4)5)13-18(22)20-10-6-7-15(2)12-20/h8-9,11,15H,6-7,10,12-13H2,1-5H3/t15-/m0/s1.
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 367.52 g/mol, XLogP of 2.17, 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-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 94028182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).