amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium

C4H11NO5PS+ — CID 89099166

IUPACamino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium
SMILESN[P+](=O)OCCS(=O)(=O)CCO
InChIInChI=1S/C4H11NO5PS/c5-11(7)10-2-4-12(8,9)3-1-6/h6H,1-4H2,(H2,5,7)/q+1
InChIKeyBPFZNBYXEVBXOC-UHFFFAOYSA-N
MW216.17 g/mol
LogP-0.97
Rot. Bonds6

About amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium

amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium (PubChem CID 89099166) has the molecular formula C4H11NO5PS+ and a molecular weight of 216.17 g/mol. Its IUPAC name is amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium.

Molecular Properties

Compound Nameamino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium
PubChem CID89099166
Molecular FormulaC4H11NO5PS+
Molecular Weight216.17 g/mol
Exact Mass216.01
IUPAC Nameamino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium
SMILESN[P+](=O)OCCS(=O)(=O)CCO
InChIInChI=1S/C4H11NO5PS/c5-11(7)10-2-4-12(8,9)3-1-6/h6H,1-4H2,(H2,5,7)/q+1
InChIKeyBPFZNBYXEVBXOC-UHFFFAOYSA-N
XLogP-0.97
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium 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 amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium?
The IUPAC name of amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium (CID 89099166) is amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium.
What is the SMILES notation for amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium?
The canonical SMILES for amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium is N[P+](=O)OCCS(=O)(=O)CCO.
What is the InChIKey of amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium?
The InChIKey is BPFZNBYXEVBXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO5PS/c5-11(7)10-2-4-12(8,9)3-1-6/h6H,1-4H2,(H2,5,7)/q+1.
What are the key properties of amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium?
amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium has a molecular weight of 216.17 g/mol, XLogP of -0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[2-(2-hydroxyethylsulfonyl)ethoxy]-oxophosphanium is sourced from PubChem (CID 89099166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).