ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate

C11H21NO4S — CID 59634321

IUPACethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14,15)12-8-6-5-7-9-12/h4-9H2,1-3H3
InChIKeyAZNLURLZZUKQBK-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.14
Rot. Bonds4

About ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate

ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate (PubChem CID 59634321) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
PubChem CID59634321
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Nameethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate
SMILESCCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14,15)12-8-6-5-7-9-12/h4-9H2,1-3H3
InChIKeyAZNLURLZZUKQBK-UHFFFAOYSA-N
XLogP1.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.14
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-piperidin-1-ylsulfonylpropanoate?
The IUPAC name of ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate (CID 59634321) is ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate is CCOC(=O)C(C)(C)S(=O)(=O)N1CCCCC1.
What is the InChIKey of ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate?
The InChIKey is AZNLURLZZUKQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-4-16-10(13)11(2,3)17(14,15)12-8-6-5-7-9-12/h4-9H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate?
ethyl 2-methyl-2-piperidin-1-ylsulfonylpropanoate has a molecular weight of 263.36 g/mol, XLogP of 1.14, 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-piperidin-1-ylsulfonylpropanoate is sourced from PubChem (CID 59634321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).