2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C7H13F3N4O2S — CID 114813537

IUPAC2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4O2S/c8-7(9,10)3-13-17(15,16)14-5(6(11)12)4-1-2-4/h4-5,13-14H,1-3H2,(H3,11,12)
InChIKeyNWKCGLYZZSOPJL-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.31
Rot. Bonds6

About 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 114813537) has the molecular formula C7H13F3N4O2S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID114813537
Molecular FormulaC7H13F3N4O2S
Molecular Weight274.27 g/mol
Exact Mass274.07
IUPAC Name2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4O2S/c8-7(9,10)3-13-17(15,16)14-5(6(11)12)4-1-2-4/h4-5,13-14H,1-3H2,(H3,11,12)
InChIKeyNWKCGLYZZSOPJL-UHFFFAOYSA-N
XLogP-0.31
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
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

2-Cyclopropyl-2-(difluoromethylsulfonylamino)ethanimidamide
CID 64427191
2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978525
2-(2,2,2-Trifluoroethylsulfamoylamino)pentanimidamide
CID 113637756
3-Methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 114813530
2-Cyclopropyl-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 114813534
2-Cyclopropyl-2-(methylsulfamoylamino)ethanimidamide
CID 114813536
2-Cyclopropyl-2-(ethylsulfamoylamino)ethanimidamide
CID 114813539
2-Cyclopropyl-2-(propylsulfamoylamino)ethanimidamide
CID 114813540
2-Cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide
CID 114816956
2-Cyclopropyl-2-(sulfamoylamino)ethanimidamide
CID 114959727

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 114813537) is 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is NWKCGLYZZSOPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4O2S/c8-7(9,10)3-13-17(15,16)14-5(6(11)12)4-1-2-4/h4-5,13-14H,1-3H2,(H3,11,12).
What are the key properties of 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 274.27 g/mol, XLogP of -0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).