dimethoxy(sulfamoylimino)methane

C3H8N2O4S — CID 134892030

IUPACdimethoxy(sulfamoylimino)methane
SMILESCOC(=NS(N)(=O)=O)OC
InChIInChI=1S/C3H8N2O4S/c1-8-3(9-2)5-10(4,6)7/h1-2H3,(H2,4,6,7)
InChIKeyZKDUFSOVQJMLKS-UHFFFAOYSA-N
MW168.17 g/mol
LogP-1.16
Rot. Bonds1

About dimethoxy(sulfamoylimino)methane

dimethoxy(sulfamoylimino)methane (PubChem CID 134892030) has the molecular formula C3H8N2O4S and a molecular weight of 168.17 g/mol. Its IUPAC name is dimethoxy(sulfamoylimino)methane.

Molecular Properties

Compound Namedimethoxy(sulfamoylimino)methane
PubChem CID134892030
Molecular FormulaC3H8N2O4S
Molecular Weight168.17 g/mol
Exact Mass168.02
IUPAC Namedimethoxy(sulfamoylimino)methane
SMILESCOC(=NS(N)(=O)=O)OC
InChIInChI=1S/C3H8N2O4S/c1-8-3(9-2)5-10(4,6)7/h1-2H3,(H2,4,6,7)
InChIKeyZKDUFSOVQJMLKS-UHFFFAOYSA-N
XLogP-1.16
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N'-sulfamoylcarbamimidothioate
CID 86147614
Nitroso-sulfonamide
CID 22666960
methyl (2S)-2-hydroxy-2-methylsulfonylacetate
CID 121234359
methyl N'-(dimethylsulfamoyl)carbamimidate
CID 23228574
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
N-phenyl-N'-sulfamoylbenzenecarboximidamide
CID 18723552
methyl N-methyl-N-sulfamoylcarbamate
CID 88598186
(aminosulfonimidoyl)oxymethane
CID 87923018
ethane;sulfamic acid
CID 172846940
methyl 3-sulfamoylpropanoate
CID 16787339
methanesulfonic acid;methyl acetate
CID 172690689
methyl hydrogen carbonate;sulfuric acid
CID 172863213

Frequently Asked Questions

What is the IUPAC name of dimethoxy(sulfamoylimino)methane?
The IUPAC name of dimethoxy(sulfamoylimino)methane (CID 134892030) is dimethoxy(sulfamoylimino)methane.
What is the SMILES notation for dimethoxy(sulfamoylimino)methane?
The canonical SMILES for dimethoxy(sulfamoylimino)methane is COC(=NS(N)(=O)=O)OC.
What is the InChIKey of dimethoxy(sulfamoylimino)methane?
The InChIKey is ZKDUFSOVQJMLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O4S/c1-8-3(9-2)5-10(4,6)7/h1-2H3,(H2,4,6,7).
What are the key properties of dimethoxy(sulfamoylimino)methane?
dimethoxy(sulfamoylimino)methane has a molecular weight of 168.17 g/mol, XLogP of -1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(sulfamoylimino)methane is sourced from PubChem (CID 134892030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).