[amino(methylsulfonyloxy)phosphoryl] methanesulfonate

C2H8NO7PS2 — CID 175254181

IUPAC[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(N)(=O)OS(C)(=O)=O
InChIInChI=1S/C2H8NO7PS2/c1-12(5,6)9-11(3,4)10-13(2,7)8/h1-2H3,(H2,3,4)
InChIKeyCISRNROOUDRNRC-UHFFFAOYSA-N
MW253.19 g/mol
LogP-0.99
Rot. Bonds4

About [amino(methylsulfonyloxy)phosphoryl] methanesulfonate

[amino(methylsulfonyloxy)phosphoryl] methanesulfonate (PubChem CID 175254181) has the molecular formula C2H8NO7PS2 and a molecular weight of 253.19 g/mol. Its IUPAC name is [amino(methylsulfonyloxy)phosphoryl] methanesulfonate.

Molecular Properties

Compound Name[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
PubChem CID175254181
Molecular FormulaC2H8NO7PS2
Molecular Weight253.19 g/mol
Exact Mass252.95
IUPAC Name[amino(methylsulfonyloxy)phosphoryl] methanesulfonate
SMILESCS(=O)(=O)OP(N)(=O)OS(C)(=O)=O
InChIInChI=1S/C2H8NO7PS2/c1-12(5,6)9-11(3,4)10-13(2,7)8/h1-2H3,(H2,3,4)
InChIKeyCISRNROOUDRNRC-UHFFFAOYSA-N
XLogP-0.99
TPSA129.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[methyl(methylsulfonyloxy)phosphoryl] methanesulfonate
CID 87563497
[aminooxy(hydroxy)phosphoryl] methanesulfonate
CID 169100222
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
[amino(trifluoromethylsulfonyloxy)phosphoryl] trifluoromethanesulfonate
CID 175318059
methylsulfonyloxy(propan-2-yl)phosphinic acid
CID 87517622
amino methanesulfonate;hydrochloride
CID 87157730
[amino(benzenesulfonyloxy)phosphoryl] benzenesulfonate
CID 175594882
diaminophosphoryl hydrogen sulfate
CID 174774826
silyl methanesulfonate
CID 19038808
N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 175408582
diaminophosphoryloxyethane
CID 12620494
sodium methanesulfonoperoxoate
CID 59815177

Frequently Asked Questions

What is the IUPAC name of [amino(methylsulfonyloxy)phosphoryl] methanesulfonate?
The IUPAC name of [amino(methylsulfonyloxy)phosphoryl] methanesulfonate (CID 175254181) is [amino(methylsulfonyloxy)phosphoryl] methanesulfonate.
What is the SMILES notation for [amino(methylsulfonyloxy)phosphoryl] methanesulfonate?
The canonical SMILES for [amino(methylsulfonyloxy)phosphoryl] methanesulfonate is CS(=O)(=O)OP(N)(=O)OS(C)(=O)=O.
What is the InChIKey of [amino(methylsulfonyloxy)phosphoryl] methanesulfonate?
The InChIKey is CISRNROOUDRNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO7PS2/c1-12(5,6)9-11(3,4)10-13(2,7)8/h1-2H3,(H2,3,4).
What are the key properties of [amino(methylsulfonyloxy)phosphoryl] methanesulfonate?
[amino(methylsulfonyloxy)phosphoryl] methanesulfonate has a molecular weight of 253.19 g/mol, XLogP of -0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(methylsulfonyloxy)phosphoryl] methanesulfonate is sourced from PubChem (CID 175254181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).