4-(2-adamantylsulfamoyl)butanoic acid

C14H23NO4S — CID 43713030

IUPAC4-(2-adamantylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO4S/c16-13(17)2-1-3-20(18,19)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14-15H,1-8H2,(H,16,17)
InChIKeySZAQCXOIAALZPQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.60
Rot. Bonds6

About 4-(2-adamantylsulfamoyl)butanoic acid

4-(2-adamantylsulfamoyl)butanoic acid (PubChem CID 43713030) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-(2-adamantylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2-adamantylsulfamoyl)butanoic acid
PubChem CID43713030
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name4-(2-adamantylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO4S/c16-13(17)2-1-3-20(18,19)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14-15H,1-8H2,(H,16,17)
InChIKeySZAQCXOIAALZPQ-UHFFFAOYSA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2-adamantylsulfamoyl)butanoic acid (CID 43713030) is 4-(2-adamantylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2-adamantylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2-adamantylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-(2-adamantylsulfamoyl)butanoic acid?
The InChIKey is SZAQCXOIAALZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c16-13(17)2-1-3-20(18,19)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14-15H,1-8H2,(H,16,17).
What are the key properties of 4-(2-adamantylsulfamoyl)butanoic acid?
4-(2-adamantylsulfamoyl)butanoic acid has a molecular weight of 301.41 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantylsulfamoyl)butanoic acid is sourced from PubChem (CID 43713030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).