ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate

C13H24N2O5S — CID 27152486

IUPACethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1
InChIInChI=1S/C13H24N2O5S/c1-2-20-13(17)11-3-6-15(7-4-11)8-10-21(18,19)9-5-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyKQLUWSZOHKTSMJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP-0.45
Rot. Bonds8

About ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate

ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate (PubChem CID 27152486) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate
PubChem CID27152486
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Nameethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1
InChIInChI=1S/C13H24N2O5S/c1-2-20-13(17)11-3-6-15(7-4-11)8-10-21(18,19)9-5-12(14)16/h11H,2-10H2,1H3,(H2,14,16)
InChIKeyKQLUWSZOHKTSMJ-UHFFFAOYSA-N
XLogP-0.45
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate (CID 27152486) is ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCS(=O)(=O)CCC(N)=O)CC1.
What is the InChIKey of ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate?
The InChIKey is KQLUWSZOHKTSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-2-20-13(17)11-3-6-15(7-4-11)8-10-21(18,19)9-5-12(14)16/h11H,2-10H2,1H3,(H2,14,16).
What are the key properties of ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate has a molecular weight of 320.41 g/mol, XLogP of -0.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-amino-3-oxopropyl)sulfonylethyl]piperidine-4-carboxylate is sourced from PubChem (CID 27152486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).