3-amino-2-methylpropane-1-sulfonic acid

C4H11NO3S — CID 11976925

IUPAC3-amino-2-methylpropane-1-sulfonic acid
SMILESCC(CN)CS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-4(2-5)3-9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)
InChIKeyHVGIUNGSUCQGDX-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.53
Rot. Bonds3

About 3-amino-2-methylpropane-1-sulfonic acid

3-amino-2-methylpropane-1-sulfonic acid (PubChem CID 11976925) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 3-amino-2-methylpropane-1-sulfonic acid.

Molecular Properties

Compound Name3-amino-2-methylpropane-1-sulfonic acid
PubChem CID11976925
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name3-amino-2-methylpropane-1-sulfonic acid
SMILESCC(CN)CS(=O)(=O)O
InChIInChI=1S/C4H11NO3S/c1-4(2-5)3-9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)
InChIKeyHVGIUNGSUCQGDX-UHFFFAOYSA-N
XLogP-0.53
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.53
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 3-amino-2-methylpropane-1-sulfonic acid?
The IUPAC name of 3-amino-2-methylpropane-1-sulfonic acid (CID 11976925) is 3-amino-2-methylpropane-1-sulfonic acid.
What is the SMILES notation for 3-amino-2-methylpropane-1-sulfonic acid?
The canonical SMILES for 3-amino-2-methylpropane-1-sulfonic acid is CC(CN)CS(=O)(=O)O.
What is the InChIKey of 3-amino-2-methylpropane-1-sulfonic acid?
The InChIKey is HVGIUNGSUCQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c1-4(2-5)3-9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8).
What are the key properties of 3-amino-2-methylpropane-1-sulfonic acid?
3-amino-2-methylpropane-1-sulfonic acid has a molecular weight of 153.20 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylpropane-1-sulfonic acid is sourced from PubChem (CID 11976925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).