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

C17H25NO5S — CID 11132010

IUPACethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(CC)CC1
InChIInChI=1S/C17H25NO5S/c1-4-18-12-10-17(11-13-18,16(19)23-5-2)24(20,21)15-8-6-14(22-3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYJKSGYFKCIWOGH-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.89
Rot. Bonds6

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

ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 11132010) has the molecular formula C17H25NO5S and a molecular weight of 355.46 g/mol. Its IUPAC name is ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID11132010
Molecular FormulaC17H25NO5S
Molecular Weight355.46 g/mol
Exact Mass355.15
IUPAC Nameethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(CC)CC1
InChIInChI=1S/C17H25NO5S/c1-4-18-12-10-17(11-13-18,16(19)23-5-2)24(20,21)15-8-6-14(22-3)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyYJKSGYFKCIWOGH-UHFFFAOYSA-N
XLogP1.89
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methoxyphenyl)sulfonyl-1-[(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 3754898
ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate
CID 11733857
ethyl 4-[4-(4-propan-2-ylphenoxy)phenyl]sulfonyl-1-prop-2-ynylpiperidine-4-carboxylate
CID 46939656
4-[4-(4-chlorophenoxy)phenyl]sulfonyl-1-ethylpiperidine-4-carboxylic acid
CID 11015396
ethyl 1-benzyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate
CID 10906839
ethyl 4-(4-phenylsulfanylphenyl)sulfonyl-1-prop-2-ynylpiperidine-4-carboxylate
CID 11604680
ethyl 4-(4-fluorophenyl)sulfonyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 46938519
4-[4-[4-(2-ethoxyethoxy)phenyl]phenyl]sulfonyl-1-ethylpiperidine-4-carbothioic S-acid
CID 142845849
4-(4-methoxyphenyl)sulfonyl-1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 11048042
diethyl 1-(4-methoxyphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 582717
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 11132010) is ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(CC)CC1.
What is the InChIKey of ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is YJKSGYFKCIWOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5S/c1-4-18-12-10-17(11-13-18,16(19)23-5-2)24(20,21)15-8-6-14(22-3)7-9-15/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 355.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 11132010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).