N'-methyl-N-sulfamoylethanimidamide

C3H9N3O2S — CID 20709676

IUPACN'-methyl-N-sulfamoylethanimidamide
SMILESC/N=C(\C)NS(N)(=O)=O
InChIInChI=1S/C3H9N3O2S/c1-3(5-2)6-9(4,7)8/h1-2H3,(H,5,6)(H2,4,7,8)
InChIKeyGVJHOKJVVVBROX-UHFFFAOYSA-N
MW151.19 g/mol
LogP-1.17
Rot. Bonds1

About N'-methyl-N-sulfamoylethanimidamide

N'-methyl-N-sulfamoylethanimidamide (PubChem CID 20709676) has the molecular formula C3H9N3O2S and a molecular weight of 151.19 g/mol. Its IUPAC name is N'-methyl-N-sulfamoylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-sulfamoylethanimidamide
PubChem CID20709676
Molecular FormulaC3H9N3O2S
Molecular Weight151.19 g/mol
Exact Mass151.04
IUPAC NameN'-methyl-N-sulfamoylethanimidamide
SMILESC/N=C(\C)NS(N)(=O)=O
InChIInChI=1S/C3H9N3O2S/c1-3(5-2)6-9(4,7)8/h1-2H3,(H,5,6)(H2,4,7,8)
InChIKeyGVJHOKJVVVBROX-UHFFFAOYSA-N
XLogP-1.17
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.19
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
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 N'-methyl-N-sulfamoylethanimidamide?
The IUPAC name of N'-methyl-N-sulfamoylethanimidamide (CID 20709676) is N'-methyl-N-sulfamoylethanimidamide.
What is the SMILES notation for N'-methyl-N-sulfamoylethanimidamide?
The canonical SMILES for N'-methyl-N-sulfamoylethanimidamide is C/N=C(\C)NS(N)(=O)=O.
What is the InChIKey of N'-methyl-N-sulfamoylethanimidamide?
The InChIKey is GVJHOKJVVVBROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N3O2S/c1-3(5-2)6-9(4,7)8/h1-2H3,(H,5,6)(H2,4,7,8).
What are the key properties of N'-methyl-N-sulfamoylethanimidamide?
N'-methyl-N-sulfamoylethanimidamide has a molecular weight of 151.19 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-sulfamoylethanimidamide is sourced from PubChem (CID 20709676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).