N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide

C8H15F3N4O3S — CID 104978444

IUPACN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)4-13-19(17,18)15-6-3-1-2-5(6)7(12)14-16/h5-6,13,15-16H,1-4H2,(H2,12,14)
InChIKeyJHMVFPRBCLWILV-UHFFFAOYSA-N
MW304.29 g/mol
LogP-0.11
Rot. Bonds5

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

N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide (PubChem CID 104978444) has the molecular formula C8H15F3N4O3S and a molecular weight of 304.29 g/mol. Its IUPAC name is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
PubChem CID104978444
Molecular FormulaC8H15F3N4O3S
Molecular Weight304.29 g/mol
Exact Mass304.08
IUPAC NameN'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
SMILESNC(=NO)C1CCCC1NS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N4O3S/c9-8(10,11)4-13-19(17,18)15-6-3-1-2-5(6)7(12)14-16/h5-6,13,15-16H,1-4H2,(H2,12,14)
InChIKeyJHMVFPRBCLWILV-UHFFFAOYSA-N
XLogP-0.11
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 5-0.11
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-(difluoromethylsulfonylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76979002
N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)cyclopentane-1-carboximidamide
CID 83060146
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978315
2-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 113637732
N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carboximidamide
CID 76978333
2-(dimethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76978347
2-(diethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 76979003
2-(cyclopropylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978441
N'-hydroxy-2-(methylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978442
2-(tert-butylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978443
2-(ethylsulfamoylamino)-N'-hydroxycyclopentane-1-carboximidamide
CID 104978445
N'-hydroxy-2-(propan-2-ylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978446

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide (CID 104978444) is N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide is NC(=NO)C1CCCC1NS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide?
The InChIKey is JHMVFPRBCLWILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O3S/c9-8(10,11)4-13-19(17,18)15-6-3-1-2-5(6)7(12)14-16/h5-6,13,15-16H,1-4H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide?
N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide has a molecular weight of 304.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide is sourced from PubChem (CID 104978444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).