ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate

C17H26N2O4S — CID 26945533

IUPACethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-5-23-17(20)19-8-6-15(7-9-19)18-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,18H,5-9H2,1-4H3
InChIKeyWKICXCJLGAGMGL-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.51
Rot. Bonds4

About ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate

ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 26945533) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID26945533
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Nameethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C17H26N2O4S/c1-5-23-17(20)19-8-6-15(7-9-19)18-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,18H,5-9H2,1-4H3
InChIKeyWKICXCJLGAGMGL-UHFFFAOYSA-N
XLogP2.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
N-(1-acetylpyrrolidin-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 110871404
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
ethyl 4-[(4-bromophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945526
ethyl 4-[(4-fluorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 26945531
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
2,4,6-trimethyl-N-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]benzenesulfonamide
CID 10552105
ethyl 4-[(5-chlorothiophen-2-yl)sulfonylamino]piperidine-1-carboxylate
CID 2815498
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
ethyl 4-[[3-oxo-3-(2,4,6-trimethylanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950241
ethyl (3S)-3-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]pyrrolidine-1-carboxylate
CID 124853545

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 26945533) is ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NS(=O)(=O)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is WKICXCJLGAGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-5-23-17(20)19-8-6-15(7-9-19)18-24(21,22)16-13(3)10-12(2)11-14(16)4/h10-11,15,18H,5-9H2,1-4H3.
What are the key properties of ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate?
ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 354.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,4,6-trimethylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 26945533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).