aminomethylphosphonic acid;methanesulfonic acid

C2H10NO6PS — CID 173452453

IUPACaminomethylphosphonic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.NCP(=O)(O)O
InChIInChI=1S/CH6NO3P.CH4O3S/c2-1-6(3,4)5;1-5(2,3)4/h1-2H2,(H2,3,4,5);1H3,(H,2,3,4)
InChIKeyWTPRYNSDJMJSRR-UHFFFAOYSA-N
MW207.14 g/mol
LogP-1.42
Rot. Bonds1

About aminomethylphosphonic acid;methanesulfonic acid

aminomethylphosphonic acid;methanesulfonic acid (PubChem CID 173452453) has the molecular formula C2H10NO6PS and a molecular weight of 207.14 g/mol. Its IUPAC name is aminomethylphosphonic acid;methanesulfonic acid.

Molecular Properties

Compound Nameaminomethylphosphonic acid;methanesulfonic acid
PubChem CID173452453
Molecular FormulaC2H10NO6PS
Molecular Weight207.14 g/mol
Exact Mass207.00
IUPAC Nameaminomethylphosphonic acid;methanesulfonic acid
SMILESCS(=O)(=O)O.NCP(=O)(O)O
InChIInChI=1S/CH6NO3P.CH4O3S/c2-1-6(3,4)5;1-5(2,3)4/h1-2H2,(H2,3,4,5);1H3,(H,2,3,4)
InChIKeyWTPRYNSDJMJSRR-UHFFFAOYSA-N
XLogP-1.42
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575
ethane-1,2-diamine;methanesulfonic acid
CID 161046577
butane-1,4-diamine;methanesulfonic acid
CID 160759082
aminomethylphosphonic acid;butane-1,4-diamine
CID 159694397
hydroxylamine;methanesulfonic acid;hydrochloride
CID 87157729
aminomethyl(methyl)phosphinic acid;methylphosphonic acid
CID 158616080
ethane;methanesulfonic acid
CID 87194848
CID 87129852
CID 87129852
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
methanesulfonic acid;hydrate
CID 87278985

Frequently Asked Questions

What is the IUPAC name of aminomethylphosphonic acid;methanesulfonic acid?
The IUPAC name of aminomethylphosphonic acid;methanesulfonic acid (CID 173452453) is aminomethylphosphonic acid;methanesulfonic acid.
What is the SMILES notation for aminomethylphosphonic acid;methanesulfonic acid?
The canonical SMILES for aminomethylphosphonic acid;methanesulfonic acid is CS(=O)(=O)O.NCP(=O)(O)O.
What is the InChIKey of aminomethylphosphonic acid;methanesulfonic acid?
The InChIKey is WTPRYNSDJMJSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6NO3P.CH4O3S/c2-1-6(3,4)5;1-5(2,3)4/h1-2H2,(H2,3,4,5);1H3,(H,2,3,4).
What are the key properties of aminomethylphosphonic acid;methanesulfonic acid?
aminomethylphosphonic acid;methanesulfonic acid has a molecular weight of 207.14 g/mol, XLogP of -1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethylphosphonic acid;methanesulfonic acid is sourced from PubChem (CID 173452453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).