ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate

C12H23NO5S — CID 59634241

IUPACethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO5S/c1-5-18-11(14)12(2,3)19(15,16)13-8-6-10(17-4)7-9-13/h10H,5-9H2,1-4H3
InChIKeyMMZZZJZEEOQFCW-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.77
Rot. Bonds5

About ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate

ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate (PubChem CID 59634241) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate
PubChem CID59634241
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Nameethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCC(OC)CC1
InChIInChI=1S/C12H23NO5S/c1-5-18-11(14)12(2,3)19(15,16)13-8-6-10(17-4)7-9-13/h10H,5-9H2,1-4H3
InChIKeyMMZZZJZEEOQFCW-UHFFFAOYSA-N
XLogP0.77
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate (CID 59634241) is ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCC(OC)CC1.
What is the InChIKey of ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate?
The InChIKey is MMZZZJZEEOQFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-5-18-11(14)12(2,3)19(15,16)13-8-6-10(17-4)7-9-13/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate?
ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate has a molecular weight of 293.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methoxypiperidin-1-yl)sulfonyl-2-methylpropanoate is sourced from PubChem (CID 59634241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).