N'-[2-(methylsulfamoyl)ethyl]propanimidamide

C6H15N3O2S — CID 106342859

IUPACN'-[2-(methylsulfamoyl)ethyl]propanimidamide
SMILESCC/C(N)=N\CCS(=O)(=O)NC
InChIInChI=1S/C6H15N3O2S/c1-3-6(7)9-4-5-12(10,11)8-2/h8H,3-5H2,1-2H3,(H2,7,9)
InChIKeyUOHLOKPIBCTGTM-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.70
Rot. Bonds5

About N'-[2-(methylsulfamoyl)ethyl]propanimidamide

N'-[2-(methylsulfamoyl)ethyl]propanimidamide (PubChem CID 106342859) has the molecular formula C6H15N3O2S and a molecular weight of 193.27 g/mol. Its IUPAC name is N'-[2-(methylsulfamoyl)ethyl]propanimidamide.

Molecular Properties

Compound NameN'-[2-(methylsulfamoyl)ethyl]propanimidamide
PubChem CID106342859
Molecular FormulaC6H15N3O2S
Molecular Weight193.27 g/mol
Exact Mass193.09
IUPAC NameN'-[2-(methylsulfamoyl)ethyl]propanimidamide
SMILESCC/C(N)=N\CCS(=O)(=O)NC
InChIInChI=1S/C6H15N3O2S/c1-3-6(7)9-4-5-12(10,11)8-2/h8H,3-5H2,1-2H3,(H2,7,9)
InChIKeyUOHLOKPIBCTGTM-UHFFFAOYSA-N
XLogP-0.70
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.70
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'-[2-(methylsulfamoyl)ethyl]propanimidamide?
The IUPAC name of N'-[2-(methylsulfamoyl)ethyl]propanimidamide (CID 106342859) is N'-[2-(methylsulfamoyl)ethyl]propanimidamide.
What is the SMILES notation for N'-[2-(methylsulfamoyl)ethyl]propanimidamide?
The canonical SMILES for N'-[2-(methylsulfamoyl)ethyl]propanimidamide is CC/C(N)=N\CCS(=O)(=O)NC.
What is the InChIKey of N'-[2-(methylsulfamoyl)ethyl]propanimidamide?
The InChIKey is UOHLOKPIBCTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3O2S/c1-3-6(7)9-4-5-12(10,11)8-2/h8H,3-5H2,1-2H3,(H2,7,9).
What are the key properties of N'-[2-(methylsulfamoyl)ethyl]propanimidamide?
N'-[2-(methylsulfamoyl)ethyl]propanimidamide has a molecular weight of 193.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(methylsulfamoyl)ethyl]propanimidamide is sourced from PubChem (CID 106342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).