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

C12H23NO3S — CID 59634245

IUPACethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCCC1C
InChIInChI=1S/C12H23NO3S/c1-5-16-11(14)12(3,4)17(15)13-9-7-6-8-10(13)2/h10H,5-9H2,1-4H3
InChIKeyYCXVGAMAQCDDKN-UHFFFAOYSA-N
MW261.39 g/mol
LogP1.87
Rot. Bonds4

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

ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate (PubChem CID 59634245) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
PubChem CID59634245
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Nameethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)N1CCCCC1C
InChIInChI=1S/C12H23NO3S/c1-5-16-11(14)12(3,4)17(15)13-9-7-6-8-10(13)2/h10H,5-9H2,1-4H3
InChIKeyYCXVGAMAQCDDKN-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate (CID 59634245) is ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate is CCOC(=O)C(C)(C)S(=O)N1CCCCC1C.
What is the InChIKey of ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate?
The InChIKey is YCXVGAMAQCDDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c1-5-16-11(14)12(3,4)17(15)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)sulfinylpropanoate?
ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate has a molecular weight of 261.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylpiperidin-1-yl)sulfinylpropanoate is sourced from PubChem (CID 59634245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).