N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide

C10H19F3N4O3S — CID 104978326

IUPACN'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)NCC(F)(F)F)(C(N)=NO)CC1
InChIInChI=1S/C10H19F3N4O3S/c1-7-2-4-9(5-3-7,8(14)16-18)17-21(19,20)15-6-10(11,12)13/h7,15,17-18H,2-6H2,1H3,(H2,14,16)
InChIKeyZNRIYJUOPIBEIH-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.67
Rot. Bonds5

About N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide

N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 104978326) has the molecular formula C10H19F3N4O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID104978326
Molecular FormulaC10H19F3N4O3S
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC NameN'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILESCC1CCC(NS(=O)(=O)NCC(F)(F)F)(C(N)=NO)CC1
InChIInChI=1S/C10H19F3N4O3S/c1-7-2-4-9(5-3-7,8(14)16-18)17-21(19,20)15-6-10(11,12)13/h7,15,17-18H,2-6H2,1H3,(H2,14,16)
InChIKeyZNRIYJUOPIBEIH-UHFFFAOYSA-N
XLogP0.67
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.67
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
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978321
1-(difluoromethylsulfonylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
CID 112495807
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
N'-hydroxy-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 76904458
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978318
N'-hydroxy-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978320
N'-hydroxy-1-(propan-2-ylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978322
1-(cyclopropylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
CID 104978323

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 104978326) is N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is CC1CCC(NS(=O)(=O)NCC(F)(F)F)(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is ZNRIYJUOPIBEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O3S/c1-7-2-4-9(5-3-7,8(14)16-18)17-21(19,20)15-6-10(11,12)13/h7,15,17-18H,2-6H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 332.35 g/mol, XLogP of 0.67, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 104978326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).