2-(dipropylsulfamoylamino)-3-methylbutanoic acid

C11H24N2O4S — CID 43361276

IUPAC2-(dipropylsulfamoylamino)-3-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12-10(9(3)4)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyAQTCITKFBKOQIY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.05
Rot. Bonds9

About 2-(dipropylsulfamoylamino)-3-methylbutanoic acid

2-(dipropylsulfamoylamino)-3-methylbutanoic acid (PubChem CID 43361276) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(dipropylsulfamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(dipropylsulfamoylamino)-3-methylbutanoic acid
PubChem CID43361276
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-(dipropylsulfamoylamino)-3-methylbutanoic acid
SMILESCCCN(CCC)S(=O)(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12-10(9(3)4)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyAQTCITKFBKOQIY-UHFFFAOYSA-N
XLogP1.05
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylsulfamoylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(dipropylsulfamoylamino)-3-methylbutanoic acid (CID 43361276) is 2-(dipropylsulfamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(dipropylsulfamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(dipropylsulfamoylamino)-3-methylbutanoic acid is CCCN(CCC)S(=O)(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 2-(dipropylsulfamoylamino)-3-methylbutanoic acid?
The InChIKey is AQTCITKFBKOQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-5-7-13(8-6-2)18(16,17)12-10(9(3)4)11(14)15/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-(dipropylsulfamoylamino)-3-methylbutanoic acid?
2-(dipropylsulfamoylamino)-3-methylbutanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylsulfamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 43361276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).