2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

C9H16F3N3O2S — CID 83058122

IUPAC2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-7(8(13)14)6-2-3-6/h6-7,15H,1-5H2,(H3,13,14)
InChIKeyWESJBKZDZLTDQB-UHFFFAOYSA-N
MW287.31 g/mol
LogP0.96
Rot. Bonds7

About 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide

2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (PubChem CID 83058122) has the molecular formula C9H16F3N3O2S and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
PubChem CID83058122
Molecular FormulaC9H16F3N3O2S
Molecular Weight287.31 g/mol
Exact Mass287.09
IUPAC Name2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1
InChIInChI=1S/C9H16F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-7(8(13)14)6-2-3-6/h6-7,15H,1-5H2,(H3,13,14)
InChIKeyWESJBKZDZLTDQB-UHFFFAOYSA-N
XLogP0.96
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
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-Cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83048045
3-Methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058121
5-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058261
N-(2-Amino-2-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058388
2-(4,4,4-Trifluorobutylsulfonylamino)butanimidamide
CID 83058407
2-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058547
N'-hydroxy-3-methyl-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
CID 83058663
2-cyclopropyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83058807
3-(4,4,4-Trifluorobutylsulfonylamino)pentanimidamide
CID 83058951
N-(2-amino-1-cyclopropylethyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83067717
2-(3-Methylbutylsulfonylamino)pentanimidamide
CID 64405534

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide (CID 83058122) is 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)CCCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
The InChIKey is WESJBKZDZLTDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2S/c10-9(11,12)4-1-5-18(16,17)15-7(8(13)14)6-2-3-6/h6-7,15H,1-5H2,(H3,13,14).
What are the key properties of 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide?
2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide has a molecular weight of 287.31 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide is sourced from PubChem (CID 83058122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).