bis(2-sulfooxyethylamino)phosphinic acid

C4H13N2O10PS2 — CID 166636649

IUPACbis(2-sulfooxyethylamino)phosphinic acid
SMILESO=P(O)(NCCOS(=O)(=O)O)NCCOS(=O)(=O)O
InChIInChI=1S/C4H13N2O10PS2/c7-17(8,5-1-3-15-18(9,10)11)6-2-4-16-19(12,13)14/h1-4H2,(H,9,10,11)(H,12,13,14)(H3,5,6,7,8)
InChIKeyURPQAPAJOAVQJB-UHFFFAOYSA-N
MW344.26 g/mol
LogP-2.10
Rot. Bonds10

About bis(2-sulfooxyethylamino)phosphinic acid

bis(2-sulfooxyethylamino)phosphinic acid (PubChem CID 166636649) has the molecular formula C4H13N2O10PS2 and a molecular weight of 344.26 g/mol. Its IUPAC name is bis(2-sulfooxyethylamino)phosphinic acid.

Molecular Properties

Compound Namebis(2-sulfooxyethylamino)phosphinic acid
PubChem CID166636649
Molecular FormulaC4H13N2O10PS2
Molecular Weight344.26 g/mol
Exact Mass343.97
IUPAC Namebis(2-sulfooxyethylamino)phosphinic acid
SMILESO=P(O)(NCCOS(=O)(=O)O)NCCOS(=O)(=O)O
InChIInChI=1S/C4H13N2O10PS2/c7-17(8,5-1-3-15-18(9,10)11)6-2-4-16-19(12,13)14/h1-4H2,(H,9,10,11)(H,12,13,14)(H3,5,6,7,8)
InChIKeyURPQAPAJOAVQJB-UHFFFAOYSA-N
XLogP-2.10
TPSA188.56 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(methanesulfonamido)ethyl hydrogen sulfate
CID 57291133
2-(carbamoylamino)ethyl hydrogen sulfate
CID 174347909
bis(propylamino)phosphinic acid
CID 59603177
3-(3-methoxypropylamino)propyl hydrogen sulfate
CID 153323846
3-(propylamino)propyl hydrogen sulfate
CID 153323857
2-dimethylphosphoryloxyethyl hydrogen sulfate
CID 23594631
2-[2-(2-methoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 59816255
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045107
butyl hydrogen sulfate;hydrazine
CID 88762415
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate
CID 21045111
propyl hydrogen sulfate;hydrate
CID 88639002
ethane-1,2-diol;3-sulfooxypropyl hydrogen sulfate
CID 129051064

Frequently Asked Questions

What is the IUPAC name of bis(2-sulfooxyethylamino)phosphinic acid?
The IUPAC name of bis(2-sulfooxyethylamino)phosphinic acid (CID 166636649) is bis(2-sulfooxyethylamino)phosphinic acid.
What is the SMILES notation for bis(2-sulfooxyethylamino)phosphinic acid?
The canonical SMILES for bis(2-sulfooxyethylamino)phosphinic acid is O=P(O)(NCCOS(=O)(=O)O)NCCOS(=O)(=O)O.
What is the InChIKey of bis(2-sulfooxyethylamino)phosphinic acid?
The InChIKey is URPQAPAJOAVQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13N2O10PS2/c7-17(8,5-1-3-15-18(9,10)11)6-2-4-16-19(12,13)14/h1-4H2,(H,9,10,11)(H,12,13,14)(H3,5,6,7,8).
What are the key properties of bis(2-sulfooxyethylamino)phosphinic acid?
bis(2-sulfooxyethylamino)phosphinic acid has a molecular weight of 344.26 g/mol, XLogP of -2.10, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-sulfooxyethylamino)phosphinic acid is sourced from PubChem (CID 166636649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).