2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

C10H19F3N4O3S — CID 104978259

IUPAC2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H19F3N4O3S/c11-10(12,13)6-15-21(19,20)17-8(9(14)16-18)7-4-2-1-3-5-7/h7-8,15,17-18H,1-6H2,(H2,14,16)
InChIKeyNFNIYBOMTBRKDQ-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.67
Rot. Bonds6

About 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide

2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (PubChem CID 104978259) has the molecular formula C10H19F3N4O3S and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
PubChem CID104978259
Molecular FormulaC10H19F3N4O3S
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
SMILESNC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H19F3N4O3S/c11-10(12,13)6-15-21(19,20)17-8(9(14)16-18)7-4-2-1-3-5-7/h7-8,15,17-18H,1-6H2,(H2,14,16)
InChIKeyNFNIYBOMTBRKDQ-UHFFFAOYSA-N
XLogP0.67
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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-2-(difluoromethylsulfonylamino)ethanimidamide
CID 64408002
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
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoylamino)cycloheptane-1-carboximidamide
CID 104978339
2-cyclohexyl-2-(difluoromethylsulfonylamino)-N'-hydroxyethanimidamide
CID 112495287
2-Cyclohexyl-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide
CID 114813319
2-cyclohexyl-N'-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]ethanimidamide
CID 76904454
2-cyclohexyl-2-(cyclopropylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978255
2-cyclohexyl-N'-hydroxy-2-(methylsulfamoylamino)ethanimidamide
CID 104978256
2-(tert-butylsulfamoylamino)-2-cyclohexyl-N'-hydroxyethanimidamide
CID 104978257
2-cyclohexyl-N'-hydroxy-2-(propylsulfamoylamino)ethanimidamide
CID 104978258
2-cyclohexyl-2-(ethylsulfamoylamino)-N'-hydroxyethanimidamide
CID 104978260

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide (CID 104978259) is 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is NC(=NO)C(NS(=O)(=O)NCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
The InChIKey is NFNIYBOMTBRKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O3S/c11-10(12,13)6-15-21(19,20)17-8(9(14)16-18)7-4-2-1-3-5-7/h7-8,15,17-18H,1-6H2,(H2,14,16).
What are the key properties of 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide?
2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide has a molecular weight of 332.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N'-hydroxy-2-(2,2,2-trifluoroethylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 104978259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).