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

C7H15F3N4O2S — CID 114813615

IUPAC2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-6(2,5(11)12)3-13-17(15,16)14-4-7(8,9)10/h13-14H,3-4H2,1-2H3,(H3,11,12)
InChIKeyWMVONJLACJMNNM-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.07
Rot. Bonds6

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

2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (PubChem CID 114813615) has the molecular formula C7H15F3N4O2S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
PubChem CID114813615
Molecular FormulaC7H15F3N4O2S
Molecular Weight276.28 g/mol
Exact Mass276.09
IUPAC Name2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
SMILES[H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C7H15F3N4O2S/c1-6(2,5(11)12)3-13-17(15,16)14-4-7(8,9)10/h13-14H,3-4H2,1-2H3,(H3,11,12)
InChIKeyWMVONJLACJMNNM-UHFFFAOYSA-N
XLogP-0.07
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.07
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-2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 104978574
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180
3-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813209
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
3-(Difluoromethylsulfonylamino)-2,2-dimethylpropanimidamide
CID 116363397
2,2-Dimethyl-3-(methylsulfamoylamino)propanimidamide
CID 114813614
3-(Ethylsulfamoylamino)-2,2-dimethylpropanimidamide
CID 114813617
2,2-Dimethyl-3-(sulfamoylamino)propanimidamide
CID 114959740

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The IUPAC name of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide (CID 114813615) is 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The canonical SMILES for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is [H]/N=C(\N)C(C)(C)CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
The InChIKey is WMVONJLACJMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O2S/c1-6(2,5(11)12)3-13-17(15,16)14-4-7(8,9)10/h13-14H,3-4H2,1-2H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide?
2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide has a molecular weight of 276.28 g/mol, XLogP of -0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide is sourced from PubChem (CID 114813615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).