ethyl 2-piperidin-1-ylsulfonylacetate

C9H17NO4S — CID 12744308

IUPACethyl 2-piperidin-1-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)8-15(12,13)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyLEFUORJLVVNABL-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.37
Rot. Bonds4

About ethyl 2-piperidin-1-ylsulfonylacetate

ethyl 2-piperidin-1-ylsulfonylacetate (PubChem CID 12744308) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is ethyl 2-piperidin-1-ylsulfonylacetate.

Molecular Properties

Compound Nameethyl 2-piperidin-1-ylsulfonylacetate
PubChem CID12744308
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Nameethyl 2-piperidin-1-ylsulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCCCC1
InChIInChI=1S/C9H17NO4S/c1-2-14-9(11)8-15(12,13)10-6-4-3-5-7-10/h2-8H2,1H3
InChIKeyLEFUORJLVVNABL-UHFFFAOYSA-N
XLogP0.37
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-1-ylsulfonylacetate?
The IUPAC name of ethyl 2-piperidin-1-ylsulfonylacetate (CID 12744308) is ethyl 2-piperidin-1-ylsulfonylacetate.
What is the SMILES notation for ethyl 2-piperidin-1-ylsulfonylacetate?
The canonical SMILES for ethyl 2-piperidin-1-ylsulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCCCC1.
What is the InChIKey of ethyl 2-piperidin-1-ylsulfonylacetate?
The InChIKey is LEFUORJLVVNABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-14-9(11)8-15(12,13)10-6-4-3-5-7-10/h2-8H2,1H3.
What are the key properties of ethyl 2-piperidin-1-ylsulfonylacetate?
ethyl 2-piperidin-1-ylsulfonylacetate has a molecular weight of 235.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-1-ylsulfonylacetate is sourced from PubChem (CID 12744308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).