diacetamido sulfate

C4H8N2O6S — CID 88749098

IUPACdiacetamido sulfate
SMILESCC(=O)NOS(=O)(=O)ONC(C)=O
InChIInChI=1S/C4H8N2O6S/c1-3(7)5-11-13(9,10)12-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
InChIKeyXIGRNVTUYJUAQA-UHFFFAOYSA-N
MW212.18 g/mol
LogP-1.63
Rot. Bonds4

About diacetamido sulfate

diacetamido sulfate (PubChem CID 88749098) has the molecular formula C4H8N2O6S and a molecular weight of 212.18 g/mol. Its IUPAC name is diacetamido sulfate.

Molecular Properties

Compound Namediacetamido sulfate
PubChem CID88749098
Molecular FormulaC4H8N2O6S
Molecular Weight212.18 g/mol
Exact Mass212.01
IUPAC Namediacetamido sulfate
SMILESCC(=O)NOS(=O)(=O)ONC(C)=O
InChIInChI=1S/C4H8N2O6S/c1-3(7)5-11-13(9,10)12-6-4(2)8/h1-2H3,(H,5,7)(H,6,8)
InChIKeyXIGRNVTUYJUAQA-UHFFFAOYSA-N
XLogP-1.63
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diacetamido sulfate?
The IUPAC name of diacetamido sulfate (CID 88749098) is diacetamido sulfate.
What is the SMILES notation for diacetamido sulfate?
The canonical SMILES for diacetamido sulfate is CC(=O)NOS(=O)(=O)ONC(C)=O.
What is the InChIKey of diacetamido sulfate?
The InChIKey is XIGRNVTUYJUAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O6S/c1-3(7)5-11-13(9,10)12-6-4(2)8/h1-2H3,(H,5,7)(H,6,8).
What are the key properties of diacetamido sulfate?
diacetamido sulfate has a molecular weight of 212.18 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diacetamido sulfate is sourced from PubChem (CID 88749098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).