2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

C9H16F3N3O3S — CID 83058807

IUPAC2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O3S/c10-9(11,12)4-1-5-19(17,18)15-7(6-2-3-6)8(13)14-16/h6-7,15-16H,1-5H2,(H2,13,14)
InChIKeyAFCMMTCUDFRRPS-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.77
Rot. Bonds7

About 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (PubChem CID 83058807) has the molecular formula C9H16F3N3O3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
PubChem CID83058807
Molecular FormulaC9H16F3N3O3S
Molecular Weight303.31 g/mol
Exact Mass303.09
IUPAC Name2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O3S/c10-9(11,12)4-1-5-19(17,18)15-7(6-2-3-6)8(13)14-16/h6-7,15-16H,1-5H2,(H2,13,14)
InChIKeyAFCMMTCUDFRRPS-UHFFFAOYSA-N
XLogP0.77
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (CID 83058807) is 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is NC(=NO)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The InChIKey is AFCMMTCUDFRRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O3S/c10-9(11,12)4-1-5-19(17,18)15-7(6-2-3-6)8(13)14-16/h6-7,15-16H,1-5H2,(H2,13,14).
What are the key properties of 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide has a molecular weight of 303.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is sourced from PubChem (CID 83058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).