2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane

C9H22N2O3S — CID 54220065

IUPAC2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane
SMILESCC[N+](CC)(CCN(O)C(C)C)S(=O)[O-]
InChIInChI=1S/C9H22N2O3S/c1-5-11(6-2,15(13)14)8-7-10(12)9(3)4/h9,12H,5-8H2,1-4H3
InChIKeyONNGEAAMVJTHFL-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.74
Rot. Bonds7

About 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane

2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane (PubChem CID 54220065) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane.

Molecular Properties

Compound Name2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane
PubChem CID54220065
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane
SMILESCC[N+](CC)(CCN(O)C(C)C)S(=O)[O-]
InChIInChI=1S/C9H22N2O3S/c1-5-11(6-2,15(13)14)8-7-10(12)9(3)4/h9,12H,5-8H2,1-4H3
InChIKeyONNGEAAMVJTHFL-UHFFFAOYSA-N
XLogP0.74
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]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-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane?
The IUPAC name of 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane (CID 54220065) is 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane.
What is the SMILES notation for 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane?
The canonical SMILES for 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane is CC[N+](CC)(CCN(O)C(C)C)S(=O)[O-].
What is the InChIKey of 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane?
The InChIKey is ONNGEAAMVJTHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-5-11(6-2,15(13)14)8-7-10(12)9(3)4/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane?
2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane has a molecular weight of 238.35 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[diethyl(sulfinato)azaniumyl]ethyl-hydroxyamino]propane is sourced from PubChem (CID 54220065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).