[methyl(sulfinato)amino]-oxomethane

C2H4NO3S- — CID 59437190

IUPAC[methyl(sulfinato)amino]-oxomethane
SMILESCN(C=O)S(=O)[O-]
InChIInChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6)/p-1
InChIKeyWLOPMQBXAOAEJK-UHFFFAOYSA-M
MW122.12 g/mol
LogP-1.13
Rot. Bonds2

About [methyl(sulfinato)amino]-oxomethane

[methyl(sulfinato)amino]-oxomethane (PubChem CID 59437190) has the molecular formula C2H4NO3S- and a molecular weight of 122.12 g/mol. Its IUPAC name is [methyl(sulfinato)amino]-oxomethane.

Molecular Properties

Compound Name[methyl(sulfinato)amino]-oxomethane
PubChem CID59437190
Molecular FormulaC2H4NO3S-
Molecular Weight122.12 g/mol
Exact Mass121.99
IUPAC Name[methyl(sulfinato)amino]-oxomethane
SMILESCN(C=O)S(=O)[O-]
InChIInChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6)/p-1
InChIKeyWLOPMQBXAOAEJK-UHFFFAOYSA-M
XLogP-1.13
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-sulfanylformamide
CID 23317740
N-methyl-N-formylaminosulfenyl chloride
CID 12819418
CID 57869843
CID 57869843
N,N-dimethylformamide;sulfur dioxide
CID 86586388
N,N-dimethylformamide;sulfur monoxide
CID 87147971
N-methyl-N-sulfamoylformamide
CID 123819822
Formyl-dimethyl-sulfidoazanium
CID 140339264
N-methyl-N-sulfanylformamide chloride
CID 23317739
[Methyl(sulfino)amino]-oxomethane
CID 59437191

Frequently Asked Questions

What is the IUPAC name of [methyl(sulfinato)amino]-oxomethane?
The IUPAC name of [methyl(sulfinato)amino]-oxomethane (CID 59437190) is [methyl(sulfinato)amino]-oxomethane.
What is the SMILES notation for [methyl(sulfinato)amino]-oxomethane?
The canonical SMILES for [methyl(sulfinato)amino]-oxomethane is CN(C=O)S(=O)[O-].
What is the InChIKey of [methyl(sulfinato)amino]-oxomethane?
The InChIKey is WLOPMQBXAOAEJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6)/p-1.
What are the key properties of [methyl(sulfinato)amino]-oxomethane?
[methyl(sulfinato)amino]-oxomethane has a molecular weight of 122.12 g/mol, XLogP of -1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfinato)amino]-oxomethane is sourced from PubChem (CID 59437190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).