methyl N'-(dimethylsulfamoyl)carbamimidate

C4H11N3O3S — CID 23228574

IUPACmethyl N'-(dimethylsulfamoyl)carbamimidate
SMILESCO/C(N)=N\S(=O)(=O)N(C)C
InChIInChI=1S/C4H11N3O3S/c1-7(2)11(8,9)6-4(5)10-3/h1-3H3,(H2,5,6)
InChIKeyBXRZUIXHNZEUTC-UHFFFAOYSA-N
MW181.22 g/mol
LogP-1.25
Rot. Bonds2

About methyl N'-(dimethylsulfamoyl)carbamimidate

methyl N'-(dimethylsulfamoyl)carbamimidate (PubChem CID 23228574) has the molecular formula C4H11N3O3S and a molecular weight of 181.22 g/mol. Its IUPAC name is methyl N'-(dimethylsulfamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(dimethylsulfamoyl)carbamimidate
PubChem CID23228574
Molecular FormulaC4H11N3O3S
Molecular Weight181.22 g/mol
Exact Mass181.05
IUPAC Namemethyl N'-(dimethylsulfamoyl)carbamimidate
SMILESCO/C(N)=N\S(=O)(=O)N(C)C
InChIInChI=1S/C4H11N3O3S/c1-7(2)11(8,9)6-4(5)10-3/h1-3H3,(H2,5,6)
InChIKeyBXRZUIXHNZEUTC-UHFFFAOYSA-N
XLogP-1.25
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N'-(dimethylsulfamoyl)carbamimidate?
The IUPAC name of methyl N'-(dimethylsulfamoyl)carbamimidate (CID 23228574) is methyl N'-(dimethylsulfamoyl)carbamimidate.
What is the SMILES notation for methyl N'-(dimethylsulfamoyl)carbamimidate?
The canonical SMILES for methyl N'-(dimethylsulfamoyl)carbamimidate is CO/C(N)=N\S(=O)(=O)N(C)C.
What is the InChIKey of methyl N'-(dimethylsulfamoyl)carbamimidate?
The InChIKey is BXRZUIXHNZEUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O3S/c1-7(2)11(8,9)6-4(5)10-3/h1-3H3,(H2,5,6).
What are the key properties of methyl N'-(dimethylsulfamoyl)carbamimidate?
methyl N'-(dimethylsulfamoyl)carbamimidate has a molecular weight of 181.22 g/mol, XLogP of -1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(dimethylsulfamoyl)carbamimidate is sourced from PubChem (CID 23228574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).