2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C₆H₁₃F₃N₄O₂S — CID 114813180

About 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 114813180) has the molecular formula C₆H₁₃F₃N₄O₂S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

• Compound Name: 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
• PubChem CID: 114813180
• Molecular Formula: C₆H₁₃F₃N₄O₂S
• Molecular Weight: 262.26 g/mol
• Exact Mass: 262.07
• IUPAC Name: 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
• SMILES: [H]/N=C(\N)C(C)(C)NS(=O)(=O)NCC(F)(F)F
• InChI: InChI=1S/C6H13F3N4O2S/c1-5(2,4(10)11)13-16(14,15)12-3-6(7,8)9/h12-13H,3H2,1-2H3,(H3,10,11)
• InChIKey: NPWBUQIZPYUFBD-UHFFFAOYSA-N
• XLogP: -0.31
• TPSA: 108.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.26
LogP ≤ 5	-0.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?

The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 114813180) is 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?

The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)(C)NS(=O)(=O)NCC(F)(F)F.

What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?

The InChIKey is NPWBUQIZPYUFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-5(2,4(10)11)13-16(14,15)12-3-6(7,8)9/h12-13H,3H2,1-2H3,(H3,10,11).

What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?

2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114813180 — identifiers, structure, computed properties (public domain)

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