4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid

C14H26N2O4S — CID 61457713

IUPAC4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c17-13(18)5-4-10-21(19,20)16-12-6-9-15-14(11-12)7-2-1-3-8-14/h12,15-16H,1-11H2,(H,17,18)
InChIKeyJOPUFYKCIITGNM-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.23
Rot. Bonds6

About 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid

4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid (PubChem CID 61457713) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid
PubChem CID61457713
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C14H26N2O4S/c17-13(18)5-4-10-21(19,20)16-12-6-9-15-14(11-12)7-2-1-3-8-14/h12,15-16H,1-11H2,(H,17,18)
InChIKeyJOPUFYKCIITGNM-UHFFFAOYSA-N
XLogP1.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid?
The IUPAC name of 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid (CID 61457713) is 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid?
The InChIKey is JOPUFYKCIITGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c17-13(18)5-4-10-21(19,20)16-12-6-9-15-14(11-12)7-2-1-3-8-14/h12,15-16H,1-11H2,(H,17,18).
What are the key properties of 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid?
4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid has a molecular weight of 318.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azaspiro[5.5]undecan-4-ylsulfamoyl)butanoic acid is sourced from PubChem (CID 61457713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).