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

C11H21F3N4O2S — CID 114813306

IUPAC4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(CC)CC1
InChIInChI=1S/C11H21F3N4O2S/c1-2-8-3-5-10(6-4-8,9(15)16)18-21(19,20)17-7-11(12,13)14/h8,17-18H,2-7H2,1H3,(H3,15,16)
InChIKeyLDODAXHGIHMIFN-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.25
Rot. Bonds6

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

4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (PubChem CID 114813306) has the molecular formula C11H21F3N4O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
PubChem CID114813306
Molecular FormulaC11H21F3N4O2S
Molecular Weight330.38 g/mol
Exact Mass330.13
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(CC)CC1
InChIInChI=1S/C11H21F3N4O2S/c1-2-8-3-5-10(6-4-8,9(15)16)18-21(19,20)17-7-11(12,13)14/h8,17-18H,2-7H2,1H3,(H3,15,16)
InChIKeyLDODAXHGIHMIFN-UHFFFAOYSA-N
XLogP1.25
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.25
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-ethylcyclohexane-1-carboximidamide
CID 64408200
N'-hydroxy-4-methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978326
1-(aminomethyl)-4-ethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexan-1-amine
CID 114803369
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclooctane-1-carboximidamide
CID 114813300
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813319
4-Methyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813324
1-(2,2,2-Trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 114813330
1-(2,2,2-Trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114813500
1-(Dimethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64405487
4-Ethyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane-1-carboximidamide
CID 64405905
1-(Diethylsulfamoylamino)-4-ethylcyclohexane-1-carboximidamide
CID 64408202
4-ethyl-N'-hydroxy-1-(methylsulfamoylamino)cyclohexane-1-carboximidamide
CID 104978330

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide (CID 114813306) is 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is [H]/N=C(\N)C1(NS(=O)(=O)NCC(F)(F)F)CCC(CC)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
The InChIKey is LDODAXHGIHMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O2S/c1-2-8-3-5-10(6-4-8,9(15)16)18-21(19,20)17-7-11(12,13)14/h8,17-18H,2-7H2,1H3,(H3,15,16).
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide?
4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide has a molecular weight of 330.38 g/mol, XLogP of 1.25, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethylsulfamoylamino)cyclohexane-1-carboximidamide is sourced from PubChem (CID 114813306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).