2-[methyl(methylsulfamoyl)amino]ethanimidamide

C4H12N4O2S — CID 114813260

IUPAC2-[methyl(methylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NC
InChIInChI=1S/C4H12N4O2S/c1-7-11(9,10)8(2)3-4(5)6/h7H,3H2,1-2H3,(H3,5,6)
InChIKeyUTLUJBXZXJFXAH-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.68
Rot. Bonds4

About 2-[methyl(methylsulfamoyl)amino]ethanimidamide

2-[methyl(methylsulfamoyl)amino]ethanimidamide (PubChem CID 114813260) has the molecular formula C4H12N4O2S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-[methyl(methylsulfamoyl)amino]ethanimidamide.

Molecular Properties

Compound Name2-[methyl(methylsulfamoyl)amino]ethanimidamide
PubChem CID114813260
Molecular FormulaC4H12N4O2S
Molecular Weight180.23 g/mol
Exact Mass180.07
IUPAC Name2-[methyl(methylsulfamoyl)amino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)S(=O)(=O)NC
InChIInChI=1S/C4H12N4O2S/c1-7-11(9,10)8(2)3-4(5)6/h7H,3H2,1-2H3,(H3,5,6)
InChIKeyUTLUJBXZXJFXAH-UHFFFAOYSA-N
XLogP-1.68
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
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 2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The IUPAC name of 2-[methyl(methylsulfamoyl)amino]ethanimidamide (CID 114813260) is 2-[methyl(methylsulfamoyl)amino]ethanimidamide.
What is the SMILES notation for 2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The canonical SMILES for 2-[methyl(methylsulfamoyl)amino]ethanimidamide is [H]/N=C(\N)CN(C)S(=O)(=O)NC.
What is the InChIKey of 2-[methyl(methylsulfamoyl)amino]ethanimidamide?
The InChIKey is UTLUJBXZXJFXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O2S/c1-7-11(9,10)8(2)3-4(5)6/h7H,3H2,1-2H3,(H3,5,6).
What are the key properties of 2-[methyl(methylsulfamoyl)amino]ethanimidamide?
2-[methyl(methylsulfamoyl)amino]ethanimidamide has a molecular weight of 180.23 g/mol, XLogP of -1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfamoyl)amino]ethanimidamide is sourced from PubChem (CID 114813260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).