ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate

C17H25NO4S — CID 4737355

IUPACethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO4S/c1-5-22-17(19)15-8-6-7-9-18(15)23(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9H2,1-4H3
InChIKeySSAFESRACALMFW-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.72
Rot. Bonds4

About ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate

ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate (PubChem CID 4737355) has the molecular formula C17H25NO4S and a molecular weight of 339.46 g/mol. Its IUPAC name is ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
PubChem CID4737355
Molecular FormulaC17H25NO4S
Molecular Weight339.46 g/mol
Exact Mass339.15
IUPAC Nameethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO4S/c1-5-22-17(19)15-8-6-7-9-18(15)23(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9H2,1-4H3
InChIKeySSAFESRACALMFW-UHFFFAOYSA-N
XLogP2.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidine-2-carboxylate
CID 47006019
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529364
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl (3S)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylate
CID 7299644
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55530193
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 46517279
[2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 55529291
ethyl (2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 25421169
ethyl 1-(3-methylsulfonylphenyl)sulfonylpiperidine-2-carboxylate
CID 55559347
ethyl 1-(1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 20958581
ethyl (2R)-1-(4-tert-butylphenyl)sulfonylpiperidine-2-carboxylate
CID 52505893
1-(2-methoxy-4,6-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 120558102

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate (CID 4737355) is ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate is CCOC(=O)C1CCCCN1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate?
The InChIKey is SSAFESRACALMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4S/c1-5-22-17(19)15-8-6-7-9-18(15)23(20,21)16-13(3)10-12(2)11-14(16)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate?
ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,4,6-trimethylphenyl)sulfonylpiperidine-2-carboxylate is sourced from PubChem (CID 4737355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).