2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid

C11H24N2O3S — CID 135334349

IUPAC2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid
SMILESC=C(C)CNC(C)C(C)(CS(=O)(=O)O)N(C)C
InChIInChI=1S/C11H24N2O3S/c1-9(2)7-12-10(3)11(4,13(5)6)8-17(14,15)16/h10,12H,1,7-8H2,2-6H3,(H,14,15,16)
InChIKeyZBJVKPDXFZOMBT-UHFFFAOYSA-N
MW264.39 g/mol
LogP0.75
Rot. Bonds7

About 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid

2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid (PubChem CID 135334349) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid
PubChem CID135334349
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid
SMILESC=C(C)CNC(C)C(C)(CS(=O)(=O)O)N(C)C
InChIInChI=1S/C11H24N2O3S/c1-9(2)7-12-10(3)11(4,13(5)6)8-17(14,15)16/h10,12H,1,7-8H2,2-6H3,(H,14,15,16)
InChIKeyZBJVKPDXFZOMBT-UHFFFAOYSA-N
XLogP0.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic 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-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid?
The IUPAC name of 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid (CID 135334349) is 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid.
What is the SMILES notation for 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid?
The canonical SMILES for 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid is C=C(C)CNC(C)C(C)(CS(=O)(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid?
The InChIKey is ZBJVKPDXFZOMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-9(2)7-12-10(3)11(4,13(5)6)8-17(14,15)16/h10,12H,1,7-8H2,2-6H3,(H,14,15,16).
What are the key properties of 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid?
2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid has a molecular weight of 264.39 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-methyl-3-(2-methylprop-2-enylamino)butane-1-sulfonic acid is sourced from PubChem (CID 135334349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).