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

C6H13F3N4O2S — CID 114813180

IUPAC2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=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)
InChIKeyNPWBUQIZPYUFBD-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.31
Rot. Bonds5

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 Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID114813180
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)NS(=O)(=O)NCC(F)(F)F
InChIInChI=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)
InChIKeyNPWBUQIZPYUFBD-UHFFFAOYSA-N
XLogP-0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
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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Related Compounds

N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 113637608
N'-hydroxy-2-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637615
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637763
2-Ethyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813313
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
2-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813351
2-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813456
3-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813530
2,2-Dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813615
2-Methyl-2-(propan-2-ylsulfamoylamino)propanimidamide
CID 114813177
2-Methyl-2-(methylsulfamoylamino)propanimidamide
CID 114813179
2-(Ethylsulfamoylamino)-2-methylpropanimidamide
CID 114813182

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).