(diformylamino) hydrogen sulfite

C2H3NO5S — CID 130368086

IUPAC(diformylamino) hydrogen sulfite
SMILESO=CN(C=O)OS(=O)O
InChIInChI=1S/C2H3NO5S/c4-1-3(2-5)8-9(6)7/h1-2H,(H,6,7)
InChIKeyCYVIWMDMMIOGKG-UHFFFAOYSA-N
MW153.12 g/mol
LogP-1.33
Rot. Bonds4

About (diformylamino) hydrogen sulfite

(diformylamino) hydrogen sulfite (PubChem CID 130368086) has the molecular formula C2H3NO5S and a molecular weight of 153.12 g/mol. Its IUPAC name is (diformylamino) hydrogen sulfite.

Molecular Properties

Compound Name(diformylamino) hydrogen sulfite
PubChem CID130368086
Molecular FormulaC2H3NO5S
Molecular Weight153.12 g/mol
Exact Mass152.97
IUPAC Name(diformylamino) hydrogen sulfite
SMILESO=CN(C=O)OS(=O)O
InChIInChI=1S/C2H3NO5S/c4-1-3(2-5)8-9(6)7/h1-2H,(H,6,7)
InChIKeyCYVIWMDMMIOGKG-UHFFFAOYSA-N
XLogP-1.33
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[chloro(methyl)amino] hydrogen sulfite
CID 174639772
acetaldehyde;amino hydrogen sulfite
CID 87411142
silver;sulfino hydrogen sulfite
CID 174707247
CID 163929153
CID 163929153
sulfinooxyperoxy hydrogen sulfite
CID 22763520
ethene;ethenyl hydrogen sulfite
CID 87173338
disulfino (Z)-but-2-enedioate
CID 174905476
1,1-dimethoxyethane;N,N-dimethylformamide;methylsulfinylmethane
CID 87286102
sodium;formic acid;hydrogen sulfite
CID 158303086
oxo-(sulfinoamino)methane
CID 18313827
2-aminoethenyl hydrogen sulfite
CID 174363043
phosphane;sulfurous acid
CID 173229936

Frequently Asked Questions

What is the IUPAC name of (diformylamino) hydrogen sulfite?
The IUPAC name of (diformylamino) hydrogen sulfite (CID 130368086) is (diformylamino) hydrogen sulfite.
What is the SMILES notation for (diformylamino) hydrogen sulfite?
The canonical SMILES for (diformylamino) hydrogen sulfite is O=CN(C=O)OS(=O)O.
What is the InChIKey of (diformylamino) hydrogen sulfite?
The InChIKey is CYVIWMDMMIOGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NO5S/c4-1-3(2-5)8-9(6)7/h1-2H,(H,6,7).
What are the key properties of (diformylamino) hydrogen sulfite?
(diformylamino) hydrogen sulfite has a molecular weight of 153.12 g/mol, XLogP of -1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (diformylamino) hydrogen sulfite is sourced from PubChem (CID 130368086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).