methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate

C13H24N2O4S — CID 61360322

IUPACmethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-19-12(16)10-20(17,18)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h11,14-15H,2-10H2,1H3
InChIKeyAPGIANCXJIBKDA-UHFFFAOYSA-N
MW304.41 g/mol
LogP0.53
Rot. Bonds4

About methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate

methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate (PubChem CID 61360322) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
PubChem CID61360322
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Namemethyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate
SMILESCOC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C13H24N2O4S/c1-19-12(16)10-20(17,18)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h11,14-15H,2-10H2,1H3
InChIKeyAPGIANCXJIBKDA-UHFFFAOYSA-N
XLogP0.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-azaspiro[5.5]undecan-4-yl)propane-1-sulfonamide
CID 43598126
N-(1-azaspiro[5.5]undecan-4-yl)butane-1-sulfonamide
CID 43598127
N-(1-azaspiro[5.5]undecan-4-yl)ethanesulfonamide
CID 43598128
2-(5-Azaspiro[3.5]nonan-8-ylsulfamoyl)propanoic acid
CID 54947607
N-(1-azaspiro[5.5]undecan-4-yl)-2-methoxyethanesulfonamide
CID 55014024
Methyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylacetate
CID 55175428
N-(1-azaspiro[5.5]undecan-4-yl)propane-2-sulfonamide
CID 60862959
Methyl 2-(3-pyrrolidin-2-ylpiperidin-1-yl)sulfonylacetate
CID 61357407
Methyl 2-[3-(methylaminomethyl)piperidin-1-yl]sulfonylacetate
CID 61357791
Methyl 2-(piperidin-4-ylsulfamoyl)acetate
CID 61357984
2-(5-Azaspiro[3.5]nonan-8-ylsulfamoyl)acetic acid
CID 61358768
2-(1-Azaspiro[5.5]undecan-4-ylsulfamoyl)acetic acid
CID 61358770

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The IUPAC name of methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate (CID 61360322) is methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate.
What is the SMILES notation for methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The canonical SMILES for methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate is COC(=O)CS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
The InChIKey is APGIANCXJIBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-19-12(16)10-20(17,18)15-11-5-8-14-13(9-11)6-3-2-4-7-13/h11,14-15H,2-10H2,1H3.
What are the key properties of methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate?
methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate has a molecular weight of 304.41 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)acetate is sourced from PubChem (CID 61360322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).