2-(methylsulfonyloxysulfonylamino)acetic acid

C3H7NO7S2 — CID 175277487

IUPAC2-(methylsulfonyloxysulfonylamino)acetic acid
SMILESCS(=O)(=O)OS(=O)(=O)NCC(=O)O
InChIInChI=1S/C3H7NO7S2/c1-12(7,8)11-13(9,10)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyXQISBQURTDQVEO-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.12
Rot. Bonds5

About 2-(methylsulfonyloxysulfonylamino)acetic acid

2-(methylsulfonyloxysulfonylamino)acetic acid (PubChem CID 175277487) has the molecular formula C3H7NO7S2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-(methylsulfonyloxysulfonylamino)acetic acid.

Molecular Properties

Compound Name2-(methylsulfonyloxysulfonylamino)acetic acid
PubChem CID175277487
Molecular FormulaC3H7NO7S2
Molecular Weight233.22 g/mol
Exact Mass232.97
IUPAC Name2-(methylsulfonyloxysulfonylamino)acetic acid
SMILESCS(=O)(=O)OS(=O)(=O)NCC(=O)O
InChIInChI=1S/C3H7NO7S2/c1-12(7,8)11-13(9,10)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyXQISBQURTDQVEO-UHFFFAOYSA-N
XLogP-2.12
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonyloxysulfonylamino)acetic acid?
The IUPAC name of 2-(methylsulfonyloxysulfonylamino)acetic acid (CID 175277487) is 2-(methylsulfonyloxysulfonylamino)acetic acid.
What is the SMILES notation for 2-(methylsulfonyloxysulfonylamino)acetic acid?
The canonical SMILES for 2-(methylsulfonyloxysulfonylamino)acetic acid is CS(=O)(=O)OS(=O)(=O)NCC(=O)O.
What is the InChIKey of 2-(methylsulfonyloxysulfonylamino)acetic acid?
The InChIKey is XQISBQURTDQVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO7S2/c1-12(7,8)11-13(9,10)4-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methylsulfonyloxysulfonylamino)acetic acid?
2-(methylsulfonyloxysulfonylamino)acetic acid has a molecular weight of 233.22 g/mol, XLogP of -2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonyloxysulfonylamino)acetic acid is sourced from PubChem (CID 175277487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).