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

C7H15F3N4O2S — CID 114813530

IUPAC3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C7H15F3N4O2S/c1-4(2)5(6(11)12)14-17(15,16)13-3-7(8,9)10/h4-5,13-14H,3H2,1-2H3,(H3,11,12)
InChIKeyDCWRFFCNBVWKIK-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.07
Rot. Bonds6

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

3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (PubChem CID 114813530) has the molecular formula C7H15F3N4O2S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.

Molecular Properties

Compound Name3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
PubChem CID114813530
Molecular FormulaC7H15F3N4O2S
Molecular Weight276.28 g/mol
Exact Mass276.09
IUPAC Name3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C(C)C
InChIInChI=1S/C7H15F3N4O2S/c1-4(2)5(6(11)12)14-17(15,16)13-3-7(8,9)10/h4-5,13-14H,3H2,1-2H3,(H3,11,12)
InChIKeyDCWRFFCNBVWKIK-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

2-(Difluoromethylsulfonylamino)-3-methylbutanimidamide
CID 64427567
N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637605
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637756
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 113637763
3-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813151
2-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813180
2-Methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propanimidamide
CID 114813344
2-(2,2,2-Trifluoroethylsulfamoylamino)butanimidamide
CID 114813351
2-[Methyl(2,2,2-trifluoroethylsulfamoyl)amino]propanimidamide
CID 114813424
3-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 114813431
2-(2,2,2-Trifluoroethylsulfamoylamino)propanimidamide
CID 114813456

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The IUPAC name of 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide (CID 114813530) is 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide.
What is the SMILES notation for 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The canonical SMILES for 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C(C)C.
What is the InChIKey of 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
The InChIKey is DCWRFFCNBVWKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F3N4O2S/c1-4(2)5(6(11)12)14-17(15,16)13-3-7(8,9)10/h4-5,13-14H,3H2,1-2H3,(H3,11,12).
What are the key properties of 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide?
3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide 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 3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide is sourced from PubChem (CID 114813530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).