2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid

C13H27NO5S — CID 89019089

IUPAC2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid
SMILESCCC(CC)(COCC(CC)(CC)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C13H27NO5S/c1-5-12(6-2,11(15)16)9-19-10-13(7-3,8-4)20(14,17)18/h5-10H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyXZJPEQAKFBGAHJ-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.74
Rot. Bonds10

About 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid

2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid (PubChem CID 89019089) has the molecular formula C13H27NO5S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid
PubChem CID89019089
Molecular FormulaC13H27NO5S
Molecular Weight309.43 g/mol
Exact Mass309.16
IUPAC Name2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid
SMILESCCC(CC)(COCC(CC)(CC)S(N)(=O)=O)C(=O)O
InChIInChI=1S/C13H27NO5S/c1-5-12(6-2,11(15)16)9-19-10-13(7-3,8-4)20(14,17)18/h5-10H2,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyXZJPEQAKFBGAHJ-UHFFFAOYSA-N
XLogP1.74
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid (CID 89019089) is 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid is CCC(CC)(COCC(CC)(CC)S(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid?
The InChIKey is XZJPEQAKFBGAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO5S/c1-5-12(6-2,11(15)16)9-19-10-13(7-3,8-4)20(14,17)18/h5-10H2,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid?
2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid has a molecular weight of 309.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-ethyl-2-sulfamoylbutoxy)methyl]butanoic acid is sourced from PubChem (CID 89019089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).