2-[(dipropylsulfamoylamino)methyl]butanoic acid

C11H24N2O4S — CID 65222800

IUPAC2-[(dipropylsulfamoylamino)methyl]butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-7-13(8-5-2)18(16,17)12-9-10(6-3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyAYJLYNYWIRRNPA-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.05
Rot. Bonds10

About 2-[(dipropylsulfamoylamino)methyl]butanoic acid

2-[(dipropylsulfamoylamino)methyl]butanoic acid (PubChem CID 65222800) has the molecular formula C11H24N2O4S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-[(dipropylsulfamoylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(dipropylsulfamoylamino)methyl]butanoic acid
PubChem CID65222800
Molecular FormulaC11H24N2O4S
Molecular Weight280.39 g/mol
Exact Mass280.15
IUPAC Name2-[(dipropylsulfamoylamino)methyl]butanoic acid
SMILESCCCN(CCC)S(=O)(=O)NCC(CC)C(=O)O
InChIInChI=1S/C11H24N2O4S/c1-4-7-13(8-5-2)18(16,17)12-9-10(6-3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15)
InChIKeyAYJLYNYWIRRNPA-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(dipropylsulfamoylamino)methyl]butanoic acid?
The IUPAC name of 2-[(dipropylsulfamoylamino)methyl]butanoic acid (CID 65222800) is 2-[(dipropylsulfamoylamino)methyl]butanoic acid.
What is the SMILES notation for 2-[(dipropylsulfamoylamino)methyl]butanoic acid?
The canonical SMILES for 2-[(dipropylsulfamoylamino)methyl]butanoic acid is CCCN(CCC)S(=O)(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[(dipropylsulfamoylamino)methyl]butanoic acid?
The InChIKey is AYJLYNYWIRRNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S/c1-4-7-13(8-5-2)18(16,17)12-9-10(6-3)11(14)15/h10,12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-[(dipropylsulfamoylamino)methyl]butanoic acid?
2-[(dipropylsulfamoylamino)methyl]butanoic acid has a molecular weight of 280.39 g/mol, XLogP of 1.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dipropylsulfamoylamino)methyl]butanoic acid is sourced from PubChem (CID 65222800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).