4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid

C11H24N2O4S — CID 60827636

IUPAC4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCCN(CC)S(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-12(6-2)18(16,17)13(10(3)4)9-7-8-11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyVRFYBPJKLMEVAJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.15
Rot. Bonds9

About 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid

4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid (PubChem CID 60827636) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid
PubChem CID60827636
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid
SMILESCCN(CC)S(=O)(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-12(6-2)18(16,17)13(10(3)4)9-7-8-11(14)15/h10H,5-9H2,1-4H3,(H,14,15)
InChIKeyVRFYBPJKLMEVAJ-UHFFFAOYSA-N
XLogP1.15
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid (CID 60827636) is 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid is CCN(CC)S(=O)(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid?
The InChIKey is VRFYBPJKLMEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-12(6-2)18(16,17)13(10(3)4)9-7-8-11(14)15/h10H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid?
4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethylsulfamoyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 60827636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).