methylsulfonyloxy(propan-2-yl)phosphinic acid

C4H11O5PS — CID 87517622

IUPACmethylsulfonyloxy(propan-2-yl)phosphinic acid
SMILESCC(C)P(=O)(O)OS(C)(=O)=O
InChIInChI=1S/C4H11O5PS/c1-4(2)10(5,6)9-11(3,7)8/h4H,1-3H3,(H,5,6)
InChIKeyDNPKHYRFPDGWAN-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.56
Rot. Bonds3

About methylsulfonyloxy(propan-2-yl)phosphinic acid

methylsulfonyloxy(propan-2-yl)phosphinic acid (PubChem CID 87517622) has the molecular formula C4H11O5PS and a molecular weight of 202.17 g/mol. Its IUPAC name is methylsulfonyloxy(propan-2-yl)phosphinic acid.

Molecular Properties

Compound Namemethylsulfonyloxy(propan-2-yl)phosphinic acid
PubChem CID87517622
Molecular FormulaC4H11O5PS
Molecular Weight202.17 g/mol
Exact Mass202.01
IUPAC Namemethylsulfonyloxy(propan-2-yl)phosphinic acid
SMILESCC(C)P(=O)(O)OS(C)(=O)=O
InChIInChI=1S/C4H11O5PS/c1-4(2)10(5,6)9-11(3,7)8/h4H,1-3H3,(H,5,6)
InChIKeyDNPKHYRFPDGWAN-UHFFFAOYSA-N
XLogP0.56
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 87563497
[hydroxy(phosphonooxy)phosphoryl]oxy-propan-2-ylphosphinic acid;propan-2-ylphosphonic acid
CID 159702232
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 175254181
[(1S,2S)-2-hydroxy-1-methylsulfonyloxypropyl]phosphonic acid
CID 18639918
3-[hydroxy(propan-2-yl)phosphoryl]oxypropanoic acid
CID 90164494
methylphosphonic acid;2-propan-2-ylsulfonylpropane
CID 87563498
(2S)-2-methyl-3-methylsulfonyloxypropane-1-sulfonic acid
CID 89117976
tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
CID 149237603
di(propan-2-yl)phosphinic acid;lanthanum
CID 174826410
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051

Frequently Asked Questions

What is the IUPAC name of methylsulfonyloxy(propan-2-yl)phosphinic acid?
The IUPAC name of methylsulfonyloxy(propan-2-yl)phosphinic acid (CID 87517622) is methylsulfonyloxy(propan-2-yl)phosphinic acid.
What is the SMILES notation for methylsulfonyloxy(propan-2-yl)phosphinic acid?
The canonical SMILES for methylsulfonyloxy(propan-2-yl)phosphinic acid is CC(C)P(=O)(O)OS(C)(=O)=O.
What is the InChIKey of methylsulfonyloxy(propan-2-yl)phosphinic acid?
The InChIKey is DNPKHYRFPDGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O5PS/c1-4(2)10(5,6)9-11(3,7)8/h4H,1-3H3,(H,5,6).
What are the key properties of methylsulfonyloxy(propan-2-yl)phosphinic acid?
methylsulfonyloxy(propan-2-yl)phosphinic acid has a molecular weight of 202.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfonyloxy(propan-2-yl)phosphinic acid is sourced from PubChem (CID 87517622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).