1-amino-2-methylpropane-1-sulfinic acid

C4H11NO2S — CID 22024843

IUPAC1-amino-2-methylpropane-1-sulfinic acid
SMILESCC(C)C(N)S(=O)O
InChIInChI=1S/C4H11NO2S/c1-3(2)4(5)8(6)7/h3-4H,5H2,1-2H3,(H,6,7)
InChIKeySJGLJJMIKANIGW-UHFFFAOYSA-N
MW137.20 g/mol
LogP0.15
Rot. Bonds2

About 1-amino-2-methylpropane-1-sulfinic acid

1-amino-2-methylpropane-1-sulfinic acid (PubChem CID 22024843) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 1-amino-2-methylpropane-1-sulfinic acid.

Molecular Properties

Compound Name1-amino-2-methylpropane-1-sulfinic acid
PubChem CID22024843
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name1-amino-2-methylpropane-1-sulfinic acid
SMILESCC(C)C(N)S(=O)O
InChIInChI=1S/C4H11NO2S/c1-3(2)4(5)8(6)7/h3-4H,5H2,1-2H3,(H,6,7)
InChIKeySJGLJJMIKANIGW-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-2-methylpropane-1-sulfinic 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 1-amino-2-methylpropane-1-sulfinic acid?
The IUPAC name of 1-amino-2-methylpropane-1-sulfinic acid (CID 22024843) is 1-amino-2-methylpropane-1-sulfinic acid.
What is the SMILES notation for 1-amino-2-methylpropane-1-sulfinic acid?
The canonical SMILES for 1-amino-2-methylpropane-1-sulfinic acid is CC(C)C(N)S(=O)O.
What is the InChIKey of 1-amino-2-methylpropane-1-sulfinic acid?
The InChIKey is SJGLJJMIKANIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-3(2)4(5)8(6)7/h3-4H,5H2,1-2H3,(H,6,7).
What are the key properties of 1-amino-2-methylpropane-1-sulfinic acid?
1-amino-2-methylpropane-1-sulfinic acid has a molecular weight of 137.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropane-1-sulfinic acid is sourced from PubChem (CID 22024843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).