2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide

C9H17F3N4O3S — CID 104978537

IUPAC2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16(5-8(13)15-17)7-3-1-2-4-7/h7,14,17H,1-6H2,(H2,13,15)
InChIKeyRVGKXBXYKXWKGQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP0.37
Rot. Bonds6

About 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide (PubChem CID 104978537) has the molecular formula C9H17F3N4O3S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
PubChem CID104978537
Molecular FormulaC9H17F3N4O3S
Molecular Weight318.32 g/mol
Exact Mass318.10
IUPAC Name2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F)=NO
InChIInChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16(5-8(13)15-17)7-3-1-2-4-7/h7,14,17H,1-6H2,(H2,13,15)
InChIKeyRVGKXBXYKXWKGQ-UHFFFAOYSA-N
XLogP0.37
TPSA108.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 50.37
H-Bond Donors ≤ 53
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-[cyclopentyl(2,2-difluoroethyl)amino]-N'-hydroxyethanimidamide
CID 77044587
2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044678
2-[cyclopentyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 77044742
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide
CID 77047243
2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 83047158
N'-hydroxy-2-[4-(2,2,2-trifluoroethylsulfamoylamino)piperidin-1-yl]ethanimidamide
CID 104978492
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-2-carboximidamide
CID 104978501
2-[cyclopentyl(4,4,4-trifluorobutyl)amino]-N'-hydroxyethanimidamide
CID 113326450
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)pyrrolidine-2-carboximidamide
CID 113637640
2-[Cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]ethanimidamide
CID 114813550
2-[cyclopentyl(dimethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 77037951
2-[cyclopentyl-[methyl(propan-2-yl)sulfamoyl]amino]-N'-hydroxyethanimidamide
CID 77038132

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide (CID 104978537) is 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)S(=O)(=O)NCC(F)(F)F)=NO.
What is the InChIKey of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is RVGKXBXYKXWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O3S/c10-9(11,12)6-14-20(18,19)16(5-8(13)15-17)7-3-1-2-4-7/h7,14,17H,1-6H2,(H2,13,15).
What are the key properties of 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 318.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104978537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).