amino(formylimino)methanesulfinic acid

C2H4N2O3S — CID 55298737

IUPACamino(formylimino)methanesulfinic acid
SMILESN/C(=N\C=O)S(=O)O
InChIInChI=1S/C2H4N2O3S/c3-2(4-1-5)8(6)7/h1H,(H,6,7)(H2,3,4,5)
InChIKeyFRDKCDRQKAUROF-UHFFFAOYSA-N
MW136.13 g/mol
LogP-1.32
Rot. Bonds1

About amino(formylimino)methanesulfinic acid

amino(formylimino)methanesulfinic acid (PubChem CID 55298737) has the molecular formula C2H4N2O3S and a molecular weight of 136.13 g/mol. Its IUPAC name is amino(formylimino)methanesulfinic acid.

Molecular Properties

Compound Nameamino(formylimino)methanesulfinic acid
PubChem CID55298737
Molecular FormulaC2H4N2O3S
Molecular Weight136.13 g/mol
Exact Mass135.99
IUPAC Nameamino(formylimino)methanesulfinic acid
SMILESN/C(=N\C=O)S(=O)O
InChIInChI=1S/C2H4N2O3S/c3-2(4-1-5)8(6)7/h1H,(H,6,7)(H2,3,4,5)
InChIKeyFRDKCDRQKAUROF-UHFFFAOYSA-N
XLogP-1.32
TPSA92.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

amino(2-sulfonylpropylimino)methanesulfinic acid
CID 22034920
oxo-(sulfinoamino)methane
CID 18313827
2,2-diaminoethenesulfinic acid
CID 174754285
CID 174767680
CID 174767680
N-aminohydroxylamine;sulfurous acid
CID 175603223
ethylideneurea;sulfurous acid
CID 174973219
N-[(Z)-1,3-diamino-4-methylpent-2-enylidene]formamide
CID 176713937
acetaldehyde;amino hydrogen sulfite
CID 87411142
1-hydrazinylideneethanesulfinic acid
CID 154220697
formamide;sulfur trioxide
CID 19427588
N-[(Z)-1,3-diamino-4,4-dimethylpent-2-enylidene]formamide
CID 171645597
sodium;formic acid;hydrogen sulfite
CID 158303086

Frequently Asked Questions

What is the IUPAC name of amino(formylimino)methanesulfinic acid?
The IUPAC name of amino(formylimino)methanesulfinic acid (CID 55298737) is amino(formylimino)methanesulfinic acid.
What is the SMILES notation for amino(formylimino)methanesulfinic acid?
The canonical SMILES for amino(formylimino)methanesulfinic acid is N/C(=N\C=O)S(=O)O.
What is the InChIKey of amino(formylimino)methanesulfinic acid?
The InChIKey is FRDKCDRQKAUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O3S/c3-2(4-1-5)8(6)7/h1H,(H,6,7)(H2,3,4,5).
What are the key properties of amino(formylimino)methanesulfinic acid?
amino(formylimino)methanesulfinic acid has a molecular weight of 136.13 g/mol, XLogP of -1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(formylimino)methanesulfinic acid is sourced from PubChem (CID 55298737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).