4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide

C10H19F3N4O2S — CID 114813324

IUPAC4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C10H19F3N4O2S/c1-7-2-4-9(5-3-7,8(14)15)17-20(18,19)16-6-10(11,12)13/h7,16-17H,2-6H2,1H3,(H3,14,15)
InChIKeyGTSHSOZCMMYIRJ-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.86
Rot. Bonds5

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

4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 114813324) has the molecular formula C10H19F3N4O2S and a molecular weight of 316.35 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID114813324
Molecular FormulaC10H19F3N4O2S
Molecular Weight316.35 g/mol
Exact Mass316.12
IUPAC Name4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(C)CC1
InChIInChI=1S/C10H19F3N4O2S/c1-7-2-4-9(5-3-7,8(14)15)17-20(18,19)16-6-10(11,12)13/h7,16-17H,2-6H2,1H3,(H3,14,15)
InChIKeyGTSHSOZCMMYIRJ-UHFFFAOYSA-N
XLogP0.86
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
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

1-(Difluoromethylsulfonylamino)-4-methylcyclohexane-1-carboximidamide
CID 64407589
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978321
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
1-(aminomethyl)-4-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803364
4-Ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813306
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813319
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
1-(Dimethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64405495
4-Methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64406124
1-(Diethylsulfamoylamino)-4-methylcyclohexane-1-carboximidamide
CID 64408005
N'-hydroxy-4-methyl-1-(propylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978325
1-(ethylsulfamoylamino)-N'-hydroxy-4-methylcyclohexane-1-carboximidamide
CID 104978327

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 114813324) is 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(C)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is GTSHSOZCMMYIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2S/c1-7-2-4-9(5-3-7,8(14)15)17-20(18,19)16-6-10(11,12)13/h7,16-17H,2-6H2,1H3,(H3,14,15).
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 316.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 114813324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).