4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid

C14H25NO5S — CID 146134219

IUPAC4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C14H25NO5S/c16-13(17)6-5-11-21(18,19)15-9-10-20-14(12-15)7-3-1-2-4-8-14/h1-12H2,(H,16,17)
InChIKeyLEBRXTFBQSZWEX-UHFFFAOYSA-N
MW319.42 g/mol
LogP1.61
Rot. Bonds5

About 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid

4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid (PubChem CID 146134219) has the molecular formula C14H25NO5S and a molecular weight of 319.42 g/mol. Its IUPAC name is 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid.

Molecular Properties

Compound Name4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid
PubChem CID146134219
Molecular FormulaC14H25NO5S
Molecular Weight319.42 g/mol
Exact Mass319.15
IUPAC Name4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)N1CCOC2(CCCCCC2)C1
InChIInChI=1S/C14H25NO5S/c16-13(17)6-5-11-21(18,19)15-9-10-20-14(12-15)7-3-1-2-4-8-14/h1-12H2,(H,16,17)
InChIKeyLEBRXTFBQSZWEX-UHFFFAOYSA-N
XLogP1.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic 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 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid?
The IUPAC name of 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid (CID 146134219) is 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid.
What is the SMILES notation for 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid?
The canonical SMILES for 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid is O=C(O)CCCS(=O)(=O)N1CCOC2(CCCCCC2)C1.
What is the InChIKey of 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid?
The InChIKey is LEBRXTFBQSZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5S/c16-13(17)6-5-11-21(18,19)15-9-10-20-14(12-15)7-3-1-2-4-8-14/h1-12H2,(H,16,17).
What are the key properties of 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid?
4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid has a molecular weight of 319.42 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxa-4-azaspiro[5.6]dodecan-4-ylsulfonyl)butanoic acid is sourced from PubChem (CID 146134219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).