ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

C16H23NO5S — CID 848330

IUPACethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H23NO5S/c1-3-21-14-5-7-15(8-6-14)23(19,20)17-11-9-13(10-12-17)16(18)22-4-2/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyCSZRHOWJGWFSCK-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.05
Rot. Bonds6

About ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 848330) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID848330
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Nameethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1
InChIInChI=1S/C16H23NO5S/c1-3-21-14-5-7-15(8-6-14)23(19,20)17-11-9-13(10-12-17)16(18)22-4-2/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyCSZRHOWJGWFSCK-UHFFFAOYSA-N
XLogP2.05
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
1-[(4-Methoxyphenyl)sulfonyl]piperidine-3-carboxylic acid
CID 2770163
1-[(4-Phenoxyphenyl)sulfonyl]-4-piperidinecarboxylic acid
CID 1117990
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
1-Cyclopropylmethyl-4-(4-methanesulfonyl-phenoxymethyl)-piperidine
CID 10041895
Tert-butyl 4-[3-(4-methylsulfonylphenoxy)propyl]piperidine-1-carboxylate
CID 59234074
4-Methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine
CID 146666610
1-(4-Methoxybenzenesulfonyl)piperidine-4-carboxylic acid
CID 737845
1-(3,4-Dimethoxybenzenesulfonyl)piperidine-4-carboxylic acid
CID 754890
1-(5-Chloro-2-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid ethyl ester
CID 653663
Methyl 1-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxylate
CID 737721
Ethyl 1-{[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonyl}-4-piperidinecarboxylate
CID 1082976

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 848330) is ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1.
What is the InChIKey of ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is CSZRHOWJGWFSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-3-21-14-5-7-15(8-6-14)23(19,20)17-11-9-13(10-12-17)16(18)22-4-2/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 848330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).