ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate

C12H22N2O4S — CID 61457573

IUPACethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-2-18-11(15)9-19(16,17)14-10-4-7-13-12(8-10)5-3-6-12/h10,13-14H,2-9H2,1H3
InChIKeyLPWMUEFWWDCGBM-UHFFFAOYSA-N
MW290.38 g/mol
LogP0.14
Rot. Bonds5

About ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate

ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate (PubChem CID 61457573) has the molecular formula C12H22N2O4S and a molecular weight of 290.38 g/mol. Its IUPAC name is ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
PubChem CID61457573
Molecular FormulaC12H22N2O4S
Molecular Weight290.38 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
SMILESCCOC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C12H22N2O4S/c1-2-18-11(15)9-19(16,17)14-10-4-7-13-12(8-10)5-3-6-12/h10,13-14H,2-9H2,1H3
InChIKeyLPWMUEFWWDCGBM-UHFFFAOYSA-N
XLogP0.14
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The IUPAC name of ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate (CID 61457573) is ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate.
What is the SMILES notation for ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The canonical SMILES for ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate is CCOC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The InChIKey is LPWMUEFWWDCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-2-18-11(15)9-19(16,17)14-10-4-7-13-12(8-10)5-3-6-12/h10,13-14H,2-9H2,1H3.
What are the key properties of ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate has a molecular weight of 290.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate is sourced from PubChem (CID 61457573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).