2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C7H13F3N4O3S — CID 104978525

IUPAC2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4O3S/c8-7(9,10)3-12-18(16,17)14-5(4-1-2-4)6(11)13-15/h4-5,12,14-15H,1-3H2,(H2,11,13)
InChIKeyTYGAYCDMTLDGBI-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.50
Rot. Bonds6

About 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 104978525) has the molecular formula C7H13F3N4O3S and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID104978525
Molecular FormulaC7H13F3N4O3S
Molecular Weight290.27 g/mol
Exact Mass290.07
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H13F3N4O3S/c8-7(9,10)3-12-18(16,17)14-5(4-1-2-4)6(11)13-15/h4-5,12,14-15H,1-3H2,(H2,11,13)
InChIKeyTYGAYCDMTLDGBI-UHFFFAOYSA-N
XLogP-0.50
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
CID 77038256
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)pentanimidamide
CID 104978279
N'-hydroxy-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978519
2-Cyclopropyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813537
2-cyclopropyl-2-(dimethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 77038979
2-cyclopropyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978522
2-cyclopropyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978523
2-cyclopropyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978524
2-cyclopropyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978526
2-cyclopropyl-N'-hydroxy-2-(propan-2-ylsulfamoylamino)ethanimidamide
CID 104978527
2-cyclopropyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985790
2-(tert-butylsulfamoylamino)-2-cyclopropyl-N'-hydroxyethanimidamide
CID 113637646

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 104978525) is 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is NC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is TYGAYCDMTLDGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N4O3S/c8-7(9,10)3-12-18(16,17)14-5(4-1-2-4)6(11)13-15/h4-5,12,14-15H,1-3H2,(H2,11,13).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 290.27 g/mol, XLogP of -0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).