3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid

C10H20N2O5S — CID 106341788

IUPAC3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)7(9(14)15)8(13)12-5-6-18(16,17)11-4/h7,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYCSZNZSAGCGPAG-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.60
Rot. Bonds6

About 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid

3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid (PubChem CID 106341788) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid
PubChem CID106341788
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid
SMILESCNS(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)7(9(14)15)8(13)12-5-6-18(16,17)11-4/h7,11H,5-6H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyYCSZNZSAGCGPAG-UHFFFAOYSA-N
XLogP-0.60
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]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 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid (CID 106341788) is 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid is CNS(=O)(=O)CCNC(=O)C(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid?
The InChIKey is YCSZNZSAGCGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-10(2,3)7(9(14)15)8(13)12-5-6-18(16,17)11-4/h7,11H,5-6H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid?
3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoyl]butanoic acid is sourced from PubChem (CID 106341788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).