(2S)-1-aminopropane-2-sulfinic acid

C3H9NO2S — CID 167729808

IUPAC(2S)-1-aminopropane-2-sulfinic acid
SMILESC[C@@H](CN)S(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(2-4)7(5)6/h3H,2,4H2,1H3,(H,5,6)/t3-/m0/s1
InChIKeyMKNKAONBCVNIMD-VKHMYHEASA-N
MW123.18 g/mol
LogP-0.44
Rot. Bonds2

About (2S)-1-aminopropane-2-sulfinic acid

(2S)-1-aminopropane-2-sulfinic acid (PubChem CID 167729808) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is (2S)-1-aminopropane-2-sulfinic acid.

Molecular Properties

Compound Name(2S)-1-aminopropane-2-sulfinic acid
PubChem CID167729808
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC Name(2S)-1-aminopropane-2-sulfinic acid
SMILESC[C@@H](CN)S(=O)O
InChIInChI=1S/C3H9NO2S/c1-3(2-4)7(5)6/h3H,2,4H2,1H3,(H,5,6)/t3-/m0/s1
InChIKeyMKNKAONBCVNIMD-VKHMYHEASA-N
XLogP-0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-aminopropane-2-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 (2S)-1-aminopropane-2-sulfinic acid?
The IUPAC name of (2S)-1-aminopropane-2-sulfinic acid (CID 167729808) is (2S)-1-aminopropane-2-sulfinic acid.
What is the SMILES notation for (2S)-1-aminopropane-2-sulfinic acid?
The canonical SMILES for (2S)-1-aminopropane-2-sulfinic acid is C[C@@H](CN)S(=O)O.
What is the InChIKey of (2S)-1-aminopropane-2-sulfinic acid?
The InChIKey is MKNKAONBCVNIMD-VKHMYHEASA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3(2-4)7(5)6/h3H,2,4H2,1H3,(H,5,6)/t3-/m0/s1.
What are the key properties of (2S)-1-aminopropane-2-sulfinic acid?
(2S)-1-aminopropane-2-sulfinic acid has a molecular weight of 123.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-aminopropane-2-sulfinic acid is sourced from PubChem (CID 167729808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).