4-(dibutylsulfamoyl)butanoic acid

C12H25NO4S — CID 28982447

IUPAC4-(dibutylsulfamoyl)butanoic acid
SMILESCCCCN(CCCC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H25NO4S/c1-3-5-9-13(10-6-4-2)18(16,17)11-7-8-12(14)15/h3-11H2,1-2H3,(H,14,15)
InChIKeyNVUVKXDOMXCTFU-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.08
Rot. Bonds11

About 4-(dibutylsulfamoyl)butanoic acid

4-(dibutylsulfamoyl)butanoic acid (PubChem CID 28982447) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)butanoic acid
PubChem CID28982447
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name4-(dibutylsulfamoyl)butanoic acid
SMILESCCCCN(CCCC)S(=O)(=O)CCCC(=O)O
InChIInChI=1S/C12H25NO4S/c1-3-5-9-13(10-6-4-2)18(16,17)11-7-8-12(14)15/h3-11H2,1-2H3,(H,14,15)
InChIKeyNVUVKXDOMXCTFU-UHFFFAOYSA-N
XLogP2.08
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)butanoic acid?
The IUPAC name of 4-(dibutylsulfamoyl)butanoic acid (CID 28982447) is 4-(dibutylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(dibutylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(dibutylsulfamoyl)butanoic acid is CCCCN(CCCC)S(=O)(=O)CCCC(=O)O.
What is the InChIKey of 4-(dibutylsulfamoyl)butanoic acid?
The InChIKey is NVUVKXDOMXCTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-3-5-9-13(10-6-4-2)18(16,17)11-7-8-12(14)15/h3-11H2,1-2H3,(H,14,15).
What are the key properties of 4-(dibutylsulfamoyl)butanoic acid?
4-(dibutylsulfamoyl)butanoic acid has a molecular weight of 279.40 g/mol, XLogP of 2.08, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)butanoic acid is sourced from PubChem (CID 28982447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).