2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

C6H13F3N4O2S — CID 114813424

IUPAC2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(5(10)11)13(2)16(14,15)12-3-6(7,8)9/h4,12H,3H2,1-2H3,(H3,10,11)
InChIKeyQTYWUUCKYRENFZ-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.36
Rot. Bonds5

About 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide

2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (PubChem CID 114813424) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
PubChem CID114813424
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
SMILES[H]/N=C(\N)C(C)N(C)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(5(10)11)13(2)16(14,15)12-3-6(7,8)9/h4,12H,3H2,1-2H3,(H3,10,11)
InChIKeyQTYWUUCKYRENFZ-UHFFFAOYSA-N
XLogP-0.36
TPSA99.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.36
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(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide (CID 114813424) is 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is [H]/N=C(\N)C(C)N(C)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
The InChIKey is QTYWUUCKYRENFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-4(5(10)11)13(2)16(14,15)12-3-6(7,8)9/h4,12H,3H2,1-2H3,(H3,10,11).
What are the key properties of 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide?
2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide is sourced from PubChem (CID 114813424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).