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

C11H20N2O4S — CID 61360128

IUPACmethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C11H20N2O4S/c1-17-10(14)8-18(15,16)13-9-3-6-12-11(7-9)4-2-5-11/h9,12-13H,2-8H2,1H3
InChIKeyIFMBPISWWLPRJU-UHFFFAOYSA-N
MW276.36 g/mol
LogP-0.25
Rot. Bonds4

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

methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate (PubChem CID 61360128) has the molecular formula C11H20N2O4S and a molecular weight of 276.36 g/mol. Its IUPAC name is methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
PubChem CID61360128
Molecular FormulaC11H20N2O4S
Molecular Weight276.36 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C11H20N2O4S/c1-17-10(14)8-18(15,16)13-9-3-6-12-11(7-9)4-2-5-11/h9,12-13H,2-8H2,1H3
InChIKeyIFMBPISWWLPRJU-UHFFFAOYSA-N
XLogP-0.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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 methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The IUPAC name of methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate (CID 61360128) is methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
The InChIKey is IFMBPISWWLPRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S/c1-17-10(14)8-18(15,16)13-9-3-6-12-11(7-9)4-2-5-11/h9,12-13H,2-8H2,1H3.
What are the key properties of methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate?
methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate has a molecular weight of 276.36 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)acetate is sourced from PubChem (CID 61360128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).