2-sulfamoylethyl 2,2-dimethylbutanoate

C8H17NO4S — CID 59806864

IUPAC2-sulfamoylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-8(2,3)7(10)13-5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyGBQQVABXNLLKIJ-UHFFFAOYSA-N
MW223.29 g/mol
LogP0.25
Rot. Bonds5

About 2-sulfamoylethyl 2,2-dimethylbutanoate

2-sulfamoylethyl 2,2-dimethylbutanoate (PubChem CID 59806864) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-sulfamoylethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-sulfamoylethyl 2,2-dimethylbutanoate
PubChem CID59806864
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Name2-sulfamoylethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCS(N)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-8(2,3)7(10)13-5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12)
InChIKeyGBQQVABXNLLKIJ-UHFFFAOYSA-N
XLogP0.25
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-sulfamoylethyl 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 2-sulfamoylethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-sulfamoylethyl 2,2-dimethylbutanoate (CID 59806864) is 2-sulfamoylethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-sulfamoylethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-sulfamoylethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCS(N)(=O)=O.
What is the InChIKey of 2-sulfamoylethyl 2,2-dimethylbutanoate?
The InChIKey is GBQQVABXNLLKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-8(2,3)7(10)13-5-6-14(9,11)12/h4-6H2,1-3H3,(H2,9,11,12).
What are the key properties of 2-sulfamoylethyl 2,2-dimethylbutanoate?
2-sulfamoylethyl 2,2-dimethylbutanoate has a molecular weight of 223.29 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfamoylethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 59806864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).