1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane

C6H16N2O4S — CID 87205330

IUPAC1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane
SMILESCCC(O)N(C(O)CC)S(N)(=O)=O
InChIInChI=1S/C6H16N2O4S/c1-3-5(9)8(6(10)4-2)13(7,11)12/h5-6,9-10H,3-4H2,1-2H3,(H2,7,11,12)
InChIKeyGHOUAIXNKAJFBA-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.05
Rot. Bonds5

About 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane

1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane (PubChem CID 87205330) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane
PubChem CID87205330
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane
SMILESCCC(O)N(C(O)CC)S(N)(=O)=O
InChIInChI=1S/C6H16N2O4S/c1-3-5(9)8(6(10)4-2)13(7,11)12/h5-6,9-10H,3-4H2,1-2H3,(H2,7,11,12)
InChIKeyGHOUAIXNKAJFBA-UHFFFAOYSA-N
XLogP-1.05
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.05
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-hydroxypropyl(sulfamoyl)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 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane?
The IUPAC name of 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane (CID 87205330) is 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane.
What is the SMILES notation for 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane?
The canonical SMILES for 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane is CCC(O)N(C(O)CC)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane?
The InChIKey is GHOUAIXNKAJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-3-5(9)8(6(10)4-2)13(7,11)12/h5-6,9-10H,3-4H2,1-2H3,(H2,7,11,12).
What are the key properties of 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane?
1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane has a molecular weight of 212.27 g/mol, XLogP of -1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane is sourced from PubChem (CID 87205330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).