methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate

C13H24N2O4S — CID 61457633

IUPACmethyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-19-12(16)4-2-9-20(17,18)15-11-5-8-14-13(10-11)6-3-7-13/h11,14-15H,2-10H2,1H3
InChIKeyCITOFPGTKJIZQX-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.53
Rot. Bonds6

About methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate

methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate (PubChem CID 61457633) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate
PubChem CID61457633
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC1CCNC2(CCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-19-12(16)4-2-9-20(17,18)15-11-5-8-14-13(10-11)6-3-7-13/h11,14-15H,2-10H2,1H3
InChIKeyCITOFPGTKJIZQX-UHFFFAOYSA-N
XLogP0.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate?
The IUPAC name of methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate (CID 61457633) is methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate.
What is the SMILES notation for methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate?
The canonical SMILES for methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate is COC(=O)CCCS(=O)(=O)NC1CCNC2(CCC2)C1.
What is the InChIKey of methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate?
The InChIKey is CITOFPGTKJIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-19-12(16)4-2-9-20(17,18)15-11-5-8-14-13(10-11)6-3-7-13/h11,14-15H,2-10H2,1H3.
What are the key properties of methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate?
methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate has a molecular weight of 304.41 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-azaspiro[3.5]nonan-8-ylsulfamoyl)butanoate is sourced from PubChem (CID 61457633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).