2-amino-2-methyl-3-phenylpropane-1-sulfonic acid

C10H15NO3S — CID 24787382

IUPAC2-amino-2-methyl-3-phenylpropane-1-sulfonic acid
SMILESCC(N)(Cc1ccccc1)CS(=O)(=O)O
InChIInChI=1S/C10H15NO3S/c1-10(11,8-15(12,13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3,(H,12,13,14)
InChIKeyGYFRPZYTVAZIOM-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid

2-amino-2-methyl-3-phenylpropane-1-sulfonic acid (PubChem CID 24787382) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-phenylpropane-1-sulfonic acid
PubChem CID24787382
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-amino-2-methyl-3-phenylpropane-1-sulfonic acid
SMILESCC(N)(Cc1ccccc1)CS(=O)(=O)O
InChIInChI=1S/C10H15NO3S/c1-10(11,8-15(12,13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3,(H,12,13,14)
InChIKeyGYFRPZYTVAZIOM-UHFFFAOYSA-N
XLogP0.83
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid?
The IUPAC name of 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid (CID 24787382) is 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid.
What is the SMILES notation for 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid?
The canonical SMILES for 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid is CC(N)(Cc1ccccc1)CS(=O)(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid?
The InChIKey is GYFRPZYTVAZIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-10(11,8-15(12,13)14)7-9-5-3-2-4-6-9/h2-6H,7-8,11H2,1H3,(H,12,13,14).
What are the key properties of 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid?
2-amino-2-methyl-3-phenylpropane-1-sulfonic acid has a molecular weight of 229.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-phenylpropane-1-sulfonic acid is sourced from PubChem (CID 24787382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).