2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

C6H13F3N4O2S — CID 114813344

IUPAC2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(5(10)11)2-12-16(14,15)13-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11)
InChIKeyUOBZSKHBISMMDB-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.46
Rot. Bonds6

About 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide

2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 114813344) has the molecular formula C6H13F3N4O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID114813344
Molecular FormulaC6H13F3N4O2S
Molecular Weight262.26 g/mol
Exact Mass262.07
IUPAC Name2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H13F3N4O2S/c1-4(5(10)11)2-12-16(14,15)13-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11)
InChIKeyUOBZSKHBISMMDB-UHFFFAOYSA-N
XLogP-0.46
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.46
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

3-(Difluoromethylsulfonylamino)-2-methylpropanimidamide
CID 64407804
N'-hydroxy-2-methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 104978363
N'-hydroxy-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978432
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813229
2-Methyl-3-[methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813254
3-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-2-methylpropanimidamide
CID 114813268
4-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813337
2-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813456
3-[2-Methylpropyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 114813344) is 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is UOBZSKHBISMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N4O2S/c1-4(5(10)11)2-12-16(14,15)13-3-6(7,8)9/h4,12-13H,2-3H2,1H3,(H3,10,11).
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 262.26 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).