N,N-dimethylformamide;sulfoperoxy hydrogen sulfate

C3H9NO10S2 — CID 22602657

IUPACN,N-dimethylformamide;sulfoperoxy hydrogen sulfate
SMILESCN(C)C=O.O=S(=O)(O)OOOS(=O)(=O)O
InChIInChI=1S/C3H7NO.H2O9S2/c1-4(2)3-5;1-10(2,3)8-7-9-11(4,5)6/h3H,1-2H3;(H,1,2,3)(H,4,5,6)
InChIKeyITODONSTYFKJAB-UHFFFAOYSA-N
MW283.24 g/mol
LogP-1.82
Rot. Bonds5

About N,N-dimethylformamide;sulfoperoxy hydrogen sulfate

N,N-dimethylformamide;sulfoperoxy hydrogen sulfate (PubChem CID 22602657) has the molecular formula C3H9NO10S2 and a molecular weight of 283.24 g/mol. Its IUPAC name is N,N-dimethylformamide;sulfoperoxy hydrogen sulfate.

Molecular Properties

Compound NameN,N-dimethylformamide;sulfoperoxy hydrogen sulfate
PubChem CID22602657
Molecular FormulaC3H9NO10S2
Molecular Weight283.24 g/mol
Exact Mass282.97
IUPAC NameN,N-dimethylformamide;sulfoperoxy hydrogen sulfate
SMILESCN(C)C=O.O=S(=O)(O)OOOS(=O)(=O)O
InChIInChI=1S/C3H7NO.H2O9S2/c1-4(2)3-5;1-10(2,3)8-7-9-11(4,5)6/h3H,1-2H3;(H,1,2,3)(H,4,5,6)
InChIKeyITODONSTYFKJAB-UHFFFAOYSA-N
XLogP-1.82
TPSA156.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-1.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium;N,N-dimethylformamide;iodide
CID 161014546
CID 159352431
CID 159352431
N,N-dimethylformamide;molecular chlorine
CID 86751989
sulfooxy hydrogen sulfate
CID 24413
pentakis(N,N-dimethylformamide);ethane
CID 54023735
N,N-dimethylformamide;silicic acid
CID 162024384
peroxyformic acid;sulfooxy hydrogen sulfate
CID 174430614
CID 175333596
CID 175333596
N,N-dimethylformamide;methanethiol
CID 86741828
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
potassium;N,N-dimethylformamide;iodide
CID 87701364
N,N-dimethylformamide;gold;hydrochloride
CID 174891065

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;sulfoperoxy hydrogen sulfate?
The IUPAC name of N,N-dimethylformamide;sulfoperoxy hydrogen sulfate (CID 22602657) is N,N-dimethylformamide;sulfoperoxy hydrogen sulfate.
What is the SMILES notation for N,N-dimethylformamide;sulfoperoxy hydrogen sulfate?
The canonical SMILES for N,N-dimethylformamide;sulfoperoxy hydrogen sulfate is CN(C)C=O.O=S(=O)(O)OOOS(=O)(=O)O.
What is the InChIKey of N,N-dimethylformamide;sulfoperoxy hydrogen sulfate?
The InChIKey is ITODONSTYFKJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.H2O9S2/c1-4(2)3-5;1-10(2,3)8-7-9-11(4,5)6/h3H,1-2H3;(H,1,2,3)(H,4,5,6).
What are the key properties of N,N-dimethylformamide;sulfoperoxy hydrogen sulfate?
N,N-dimethylformamide;sulfoperoxy hydrogen sulfate has a molecular weight of 283.24 g/mol, XLogP of -1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;sulfoperoxy hydrogen sulfate is sourced from PubChem (CID 22602657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).