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

C9H17F3N4O3S — CID 104978321

IUPACN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16-8(7(13)15-17)4-2-1-3-5-8/h14,16-17H,1-6H2,(H2,13,15)
InChIKeyGTCLVLDNQFEJSK-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.42
Rot. Bonds5

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

N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978321) has the molecular formula C9H17F3N4O3S and a molecular weight of 318.32 g/mol. Its IUPAC name is N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978321
Molecular FormulaC9H17F3N4O3S
Molecular Weight318.32 g/mol
Exact Mass318.10
IUPAC NameN'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESNC(=NO)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16-8(7(13)15-17)4-2-1-3-5-8/h14,16-17H,1-6H2,(H2,13,15)
InChIKeyGTCLVLDNQFEJSK-UHFFFAOYSA-N
XLogP0.42
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.42
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-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978259
2-ethyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)butanimidamide
CID 104978284
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclopentane-1-carboximidamide
CID 104978315
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978339
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978318
1-(tert-butylsulfamoylamino)-N'-hydroxycyclohexane-1-carboximidamide
CID 104978319
N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978320
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978322
N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978325

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978321) is N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is NC(=NO)C1(NS(=O)(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is GTCLVLDNQFEJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16-8(7(13)15-17)4-2-1-3-5-8/h14,16-17H,1-6H2,(H2,13,15).
What are the key properties of N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 318.32 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).