7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid

C8H14N2O4S — CID 175731897

IUPAC7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CC12CC2
InChIInChI=1S/C8H14N2O4S/c1-15(13,14)9-6-4-10(7(11)12)5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12)
InChIKeyVSKVVQKZPORDQA-UHFFFAOYSA-N
MW234.28 g/mol
LogP-0.32
Rot. Bonds2

About 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid

7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid (PubChem CID 175731897) has the molecular formula C8H14N2O4S and a molecular weight of 234.28 g/mol. Its IUPAC name is 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid.

Molecular Properties

Compound Name7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid
PubChem CID175731897
Molecular FormulaC8H14N2O4S
Molecular Weight234.28 g/mol
Exact Mass234.07
IUPAC Name7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid
SMILESCS(=O)(=O)NC1CN(C(=O)O)CC12CC2
InChIInChI=1S/C8H14N2O4S/c1-15(13,14)9-6-4-10(7(11)12)5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12)
InChIKeyVSKVVQKZPORDQA-UHFFFAOYSA-N
XLogP-0.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid 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 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The IUPAC name of 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid (CID 175731897) is 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid.
What is the SMILES notation for 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The canonical SMILES for 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid is CS(=O)(=O)NC1CN(C(=O)O)CC12CC2.
What is the InChIKey of 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid?
The InChIKey is VSKVVQKZPORDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S/c1-15(13,14)9-6-4-10(7(11)12)5-8(6)2-3-8/h6,9H,2-5H2,1H3,(H,11,12).
What are the key properties of 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid?
7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methanesulfonamido)-5-azaspiro[2.4]heptane-5-carboxylic acid is sourced from PubChem (CID 175731897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).