1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane

C4H12N2O4S — CID 87205353

IUPAC1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane
SMILESCC(O)N(C(C)O)S(N)(=O)=O
InChIInChI=1S/C4H12N2O4S/c1-3(7)6(4(2)8)11(5,9)10/h3-4,7-8H,1-2H3,(H2,5,9,10)
InChIKeyCAAXUTINKYAHPC-UHFFFAOYSA-N
MW184.22 g/mol
LogP-1.83
Rot. Bonds3

About 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane

1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane (PubChem CID 87205353) has the molecular formula C4H12N2O4S and a molecular weight of 184.22 g/mol. Its IUPAC name is 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane.

Molecular Properties

Compound Name1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane
PubChem CID87205353
Molecular FormulaC4H12N2O4S
Molecular Weight184.22 g/mol
Exact Mass184.05
IUPAC Name1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane
SMILESCC(O)N(C(C)O)S(N)(=O)=O
InChIInChI=1S/C4H12N2O4S/c1-3(7)6(4(2)8)11(5,9)10/h3-4,7-8H,1-2H3,(H2,5,9,10)
InChIKeyCAAXUTINKYAHPC-UHFFFAOYSA-N
XLogP-1.83
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane 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-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane?
The IUPAC name of 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane (CID 87205353) is 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane.
What is the SMILES notation for 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane?
The canonical SMILES for 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane is CC(O)N(C(C)O)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane?
The InChIKey is CAAXUTINKYAHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O4S/c1-3(7)6(4(2)8)11(5,9)10/h3-4,7-8H,1-2H3,(H2,5,9,10).
What are the key properties of 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane?
1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane has a molecular weight of 184.22 g/mol, XLogP of -1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane is sourced from PubChem (CID 87205353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).