2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane

C5H12NO4S- — CID 118253094

IUPAC2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
SMILESCC(O)CN(CCO)S(=O)[O-]
InChIInChI=1S/C5H13NO4S/c1-5(8)4-6(2-3-7)11(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/p-1
InChIKeyOHBNDCNDPKYUET-UHFFFAOYSA-M
MW182.22 g/mol
LogP-1.54
Rot. Bonds5

About 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane

2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane (PubChem CID 118253094) has the molecular formula C5H12NO4S- and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane.

Molecular Properties

Compound Name2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
PubChem CID118253094
Molecular FormulaC5H12NO4S-
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane
SMILESCC(O)CN(CCO)S(=O)[O-]
InChIInChI=1S/C5H13NO4S/c1-5(8)4-6(2-3-7)11(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/p-1
InChIKeyOHBNDCNDPKYUET-UHFFFAOYSA-M
XLogP-1.54
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane 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 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane?
The IUPAC name of 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane (CID 118253094) is 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane.
What is the SMILES notation for 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane?
The canonical SMILES for 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane is CC(O)CN(CCO)S(=O)[O-].
What is the InChIKey of 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane?
The InChIKey is OHBNDCNDPKYUET-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13NO4S/c1-5(8)4-6(2-3-7)11(9)10/h5,7-8H,2-4H2,1H3,(H,9,10)/p-1.
What are the key properties of 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane?
2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane has a molecular weight of 182.22 g/mol, XLogP of -1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-hydroxyethyl(sulfinato)amino]propane is sourced from PubChem (CID 118253094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).