ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate

C16H23NO5S — CID 11056973

IUPACethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(C)CC1
InChIInChI=1S/C16H23NO5S/c1-4-22-15(18)16(9-11-17(2)12-10-16)23(19,20)14-7-5-13(21-3)6-8-14/h5-8H,4,9-12H2,1-3H3
InChIKeyZOCIWLKGUFBEST-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.50
Rot. Bonds5

About ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate

ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate (PubChem CID 11056973) has the molecular formula C16H23NO5S and a molecular weight of 341.43 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate
PubChem CID11056973
Molecular FormulaC16H23NO5S
Molecular Weight341.43 g/mol
Exact Mass341.13
IUPAC Nameethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(C)CC1
InChIInChI=1S/C16H23NO5S/c1-4-22-15(18)16(9-11-17(2)12-10-16)23(19,20)14-7-5-13(21-3)6-8-14/h5-8H,4,9-12H2,1-3H3
InChIKeyZOCIWLKGUFBEST-UHFFFAOYSA-N
XLogP1.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate (CID 11056973) is ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate is CCOC(=O)C1(S(=O)(=O)c2ccc(OC)cc2)CCN(C)CC1.
What is the InChIKey of ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate?
The InChIKey is ZOCIWLKGUFBEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5S/c1-4-22-15(18)16(9-11-17(2)12-10-16)23(19,20)14-7-5-13(21-3)6-8-14/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate?
ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenyl)sulfonyl-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 11056973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).