3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate

C11H23NO4S — CID 23518154

IUPAC3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate
SMILESCCNS(=O)(=O)CCCOC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO4S/c1-5-11(3,4)10(13)16-8-7-9-17(14,15)12-6-2/h12H,5-9H2,1-4H3
InChIKeySDBYTXLKGYTEKD-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.30
Rot. Bonds8

About 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate

3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate (PubChem CID 23518154) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate
PubChem CID23518154
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate
SMILESCCNS(=O)(=O)CCCOC(=O)C(C)(C)CC
InChIInChI=1S/C11H23NO4S/c1-5-11(3,4)10(13)16-8-7-9-17(14,15)12-6-2/h12H,5-9H2,1-4H3
InChIKeySDBYTXLKGYTEKD-UHFFFAOYSA-N
XLogP1.30
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate 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-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate?
The IUPAC name of 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate (CID 23518154) is 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate.
What is the SMILES notation for 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate?
The canonical SMILES for 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate is CCNS(=O)(=O)CCCOC(=O)C(C)(C)CC.
What is the InChIKey of 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate?
The InChIKey is SDBYTXLKGYTEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-5-11(3,4)10(13)16-8-7-9-17(14,15)12-6-2/h12H,5-9H2,1-4H3.
What are the key properties of 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate?
3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate has a molecular weight of 265.37 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoyl)propyl 2,2-dimethylbutanoate is sourced from PubChem (CID 23518154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).