2-(dibutylsulfamoylamino)propanoic acid

C11H24N2O4S — CID 87891794

IUPAC2-(dibutylsulfamoylamino)propanoic acid
SMILESCCCCN(CCCC)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-6-8-13(9-7-5-2)18(16,17)12-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyVLIRDBINEWWDHD-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.20
Rot. Bonds10

About 2-(dibutylsulfamoylamino)propanoic acid

2-(dibutylsulfamoylamino)propanoic acid (PubChem CID 87891794) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(dibutylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(dibutylsulfamoylamino)propanoic acid
PubChem CID87891794
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-(dibutylsulfamoylamino)propanoic acid
SMILESCCCCN(CCCC)S(=O)(=O)NC(C)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-6-8-13(9-7-5-2)18(16,17)12-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyVLIRDBINEWWDHD-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dibutylsulfamoylamino)propanoic acid?
The IUPAC name of 2-(dibutylsulfamoylamino)propanoic acid (CID 87891794) is 2-(dibutylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-(dibutylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-(dibutylsulfamoylamino)propanoic acid is CCCCN(CCCC)S(=O)(=O)NC(C)C(=O)O.
What is the InChIKey of 2-(dibutylsulfamoylamino)propanoic acid?
The InChIKey is VLIRDBINEWWDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-6-8-13(9-7-5-2)18(16,17)12-10(3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(dibutylsulfamoylamino)propanoic acid?
2-(dibutylsulfamoylamino)propanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.20, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylsulfamoylamino)propanoic acid is sourced from PubChem (CID 87891794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).