ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate

C11H20N2O4S — CID 54952684

IUPACethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O4S/c1-2-17-11(14)7-18(15,16)13-10-5-8-3-4-9(6-10)12-8/h8-10,12-13H,2-7H2,1H3
InChIKeyIQZBFDKJVVQUBD-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.25
Rot. Bonds5

About ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate

ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate (PubChem CID 54952684) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate
PubChem CID54952684
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Nameethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CC2CCC(C1)N2
InChIInChI=1S/C11H20N2O4S/c1-2-17-11(14)7-18(15,16)13-10-5-8-3-4-9(6-10)12-8/h8-10,12-13H,2-7H2,1H3
InChIKeyIQZBFDKJVVQUBD-UHFFFAOYSA-N
XLogP-0.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate (CID 54952684) is ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NC1CC2CCC(C1)N2.
What is the InChIKey of ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate?
The InChIKey is IQZBFDKJVVQUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-2-17-11(14)7-18(15,16)13-10-5-8-3-4-9(6-10)12-8/h8-10,12-13H,2-7H2,1H3.
What are the key properties of ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate?
ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate has a molecular weight of 276.36 g/mol, XLogP of -0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)acetate is sourced from PubChem (CID 54952684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).