3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid

C11H23NO4S — CID 65266453

IUPAC3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(=O)(=O)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-9(2,3)17(15,16)12-11(6,7)10(4,5)8(13)14/h12H,1-7H3,(H,13,14)
InChIKeyHAVVYNZUMXQKKQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.59
Rot. Bonds4

About 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid

3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 65266453) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid
PubChem CID65266453
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NS(=O)(=O)C(C)(C)C)C(C)(C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-9(2,3)17(15,16)12-11(6,7)10(4,5)8(13)14/h12H,1-7H3,(H,13,14)
InChIKeyHAVVYNZUMXQKKQ-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic 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-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid (CID 65266453) is 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NS(=O)(=O)C(C)(C)C)C(C)(C)C(=O)O.
What is the InChIKey of 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is HAVVYNZUMXQKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-9(2,3)17(15,16)12-11(6,7)10(4,5)8(13)14/h12H,1-7H3,(H,13,14).
What are the key properties of 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid?
3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylsulfonylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65266453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).