[methyl(sulfino)amino]-oxomethane

C2H5NO3S — CID 59437191

IUPAC[methyl(sulfino)amino]-oxomethane
SMILESCN(C=O)S(=O)O
InChIInChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6)
InChIKeyWLOPMQBXAOAEJK-UHFFFAOYSA-N
MW123.13 g/mol
LogP-0.79
Rot. Bonds2

About [methyl(sulfino)amino]-oxomethane

[methyl(sulfino)amino]-oxomethane (PubChem CID 59437191) has the molecular formula C2H5NO3S and a molecular weight of 123.13 g/mol. Its IUPAC name is [methyl(sulfino)amino]-oxomethane.

Molecular Properties

Compound Name[methyl(sulfino)amino]-oxomethane
PubChem CID59437191
Molecular FormulaC2H5NO3S
Molecular Weight123.13 g/mol
Exact Mass123.00
IUPAC Name[methyl(sulfino)amino]-oxomethane
SMILESCN(C=O)S(=O)O
InChIInChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6)
InChIKeyWLOPMQBXAOAEJK-UHFFFAOYSA-N
XLogP-0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methyl(sulfino)amino]-oxomethane?
The IUPAC name of [methyl(sulfino)amino]-oxomethane (CID 59437191) is [methyl(sulfino)amino]-oxomethane.
What is the SMILES notation for [methyl(sulfino)amino]-oxomethane?
The canonical SMILES for [methyl(sulfino)amino]-oxomethane is CN(C=O)S(=O)O.
What is the InChIKey of [methyl(sulfino)amino]-oxomethane?
The InChIKey is WLOPMQBXAOAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3S/c1-3(2-4)7(5)6/h2H,1H3,(H,5,6).
What are the key properties of [methyl(sulfino)amino]-oxomethane?
[methyl(sulfino)amino]-oxomethane has a molecular weight of 123.13 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(sulfino)amino]-oxomethane is sourced from PubChem (CID 59437191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).