ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate

C12H23NO4S — CID 59634333

IUPACethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H23NO4S/c1-5-17-11(14)12(3,4)18(15,16)13-9-7-6-8-10(13)2/h10H,5-9H2,1-4H3
InChIKeyLKKZDNFBDYHWFH-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.53
Rot. Bonds4

About ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate

ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate (PubChem CID 59634333) has the molecular formula C12H23NO4S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate
PubChem CID59634333
Molecular FormulaC12H23NO4S
Molecular Weight277.39 g/mol
Exact Mass277.13
IUPAC Nameethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H23NO4S/c1-5-17-11(14)12(3,4)18(15,16)13-9-7-6-8-10(13)2/h10H,5-9H2,1-4H3
InChIKeyLKKZDNFBDYHWFH-UHFFFAOYSA-N
XLogP1.53
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate (CID 59634333) is ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate?
The InChIKey is LKKZDNFBDYHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4S/c1-5-17-11(14)12(3,4)18(15,16)13-9-7-6-8-10(13)2/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate?
ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate has a molecular weight of 277.39 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfonylpropanoate is sourced from PubChem (CID 59634333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).