2-aminopropane-2-sulfonic acid

C3H9NO3S — CID 18332427

IUPAC2-aminopropane-2-sulfonic acid
SMILESCC(C)(N)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-3(2,4)8(5,6)7/h4H2,1-2H3,(H,5,6,7)
InChIKeyNETIXPOFUYPXNI-UHFFFAOYSA-N
MW139.18 g/mol
LogP-0.43
Rot. Bonds1

About 2-aminopropane-2-sulfonic acid

2-aminopropane-2-sulfonic acid (PubChem CID 18332427) has the molecular formula C3H9NO3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-aminopropane-2-sulfonic acid.

Molecular Properties

Compound Name2-aminopropane-2-sulfonic acid
PubChem CID18332427
Molecular FormulaC3H9NO3S
Molecular Weight139.18 g/mol
Exact Mass139.03
IUPAC Name2-aminopropane-2-sulfonic acid
SMILESCC(C)(N)S(=O)(=O)O
InChIInChI=1S/C3H9NO3S/c1-3(2,4)8(5,6)7/h4H2,1-2H3,(H,5,6,7)
InChIKeyNETIXPOFUYPXNI-UHFFFAOYSA-N
XLogP-0.43
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 5-0.43
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-aminopropane-2-sulfonic acid?
The IUPAC name of 2-aminopropane-2-sulfonic acid (CID 18332427) is 2-aminopropane-2-sulfonic acid.
What is the SMILES notation for 2-aminopropane-2-sulfonic acid?
The canonical SMILES for 2-aminopropane-2-sulfonic acid is CC(C)(N)S(=O)(=O)O.
What is the InChIKey of 2-aminopropane-2-sulfonic acid?
The InChIKey is NETIXPOFUYPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3S/c1-3(2,4)8(5,6)7/h4H2,1-2H3,(H,5,6,7).
What are the key properties of 2-aminopropane-2-sulfonic acid?
2-aminopropane-2-sulfonic acid has a molecular weight of 139.18 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropane-2-sulfonic acid is sourced from PubChem (CID 18332427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).