N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide

C10H18F3N3O3S — CID 83060146

IUPACN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)5-2-6-20(18,19)16-8-4-1-3-7(8)9(14)15-17/h7-8,16-17H,1-6H2,(H2,14,15)
InChIKeyYOHOYIOJAWZOOM-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.16
Rot. Bonds6

About N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide

N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (PubChem CID 83060146) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
PubChem CID83060146
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC NameN'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)5-2-6-20(18,19)16-8-4-1-3-7(8)9(14)15-17/h7-8,16-17H,1-6H2,(H2,14,15)
InChIKeyYOHOYIOJAWZOOM-UHFFFAOYSA-N
XLogP1.16
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.16
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 N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide (CID 83060146) is N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
The InChIKey is YOHOYIOJAWZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c11-10(12,13)5-2-6-20(18,19)16-8-4-1-3-7(8)9(14)15-17/h7-8,16-17H,1-6H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide has a molecular weight of 317.33 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 83060146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).