2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C10H19F3N4O2S — CID 114813319

IUPAC2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h7-8,16-17H,1-6H2,(H3,14,15)
InChIKeyPJMSIPLPNKLQEX-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.86
Rot. Bonds6

About 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 114813319) has the molecular formula C10H19F3N4O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID114813319
Molecular FormulaC10H19F3N4O2S
Molecular Weight316.35 g/mol
Exact Mass316.12
IUPAC Name2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H19F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h7-8,16-17H,1-6H2,(H3,14,15)
InChIKeyPJMSIPLPNKLQEX-UHFFFAOYSA-N
XLogP0.86
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.86
H-Bond Donors ≤ 54
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-Cyclohexyl-2-(difluoromethylsulfonylamino)ethanimidamide
CID 64408002
2-Cyclohexyl-2-(4,4,4-trifluorobutylsulfonylamino)ethanimidamide
CID 83048045
2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 104978259
2-cyclohexyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
CID 112495287
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
3-Cyclohexyl-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
CID 17550298
2-Cyclohexyl-2-(dimethylsulfamoylamino)ethanimidamide
CID 64405702
2-Cyclohexyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 64406330
2-Cyclohexyl-2-(diethylsulfamoylamino)ethanimidamide
CID 64408207
2-cyclohexyl-N'-hydroxy-2-(sulfamoylamino)ethanimidamide
CID 104985748

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 114813319) is 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is PJMSIPLPNKLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2S/c11-10(12,13)6-16-20(18,19)17-8(9(14)15)7-4-2-1-3-5-7/h7-8,16-17H,1-6H2,(H3,14,15).
What are the key properties of 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 316.35 g/mol, XLogP of 0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).