2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide

C11H20F3N3O3S — CID 83047158

IUPAC2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C11H20F3N3O3S/c12-11(13,14)6-3-7-21(19,20)17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16)
InChIKeyWKCXVRALLJJENU-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.65
Rot. Bonds7

About 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide (PubChem CID 83047158) has the molecular formula C11H20F3N3O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
PubChem CID83047158
Molecular FormulaC11H20F3N3O3S
Molecular Weight331.36 g/mol
Exact Mass331.12
IUPAC Name2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C11H20F3N3O3S/c12-11(13,14)6-3-7-21(19,20)17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16)
InChIKeyWKCXVRALLJJENU-UHFFFAOYSA-N
XLogP1.65
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
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(difluoromethylsulfonyl)amino]ethanimidamide
CID 64475576
1-(difluoromethylsulfonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036012
2-[cyclopentyl(difluoromethylsulfonyl)amino]-N'-hydroxyethanimidamide
CID 77044678
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidine-2-carboximidamide
CID 83058109
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboximidamide
CID 83058246
2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83058408
N'-hydroxy-2-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83059114
N'-hydroxy-2-[propyl(4,4,4-trifluorobutylsulfonyl)amino]ethanimidamide
CID 83059425
N'-hydroxy-2-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
CID 83059581
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidine-2-carboximidamide
CID 83059875
2-[cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]-N'-hydroxyethanimidamide
CID 104978537
2-[Butylsulfonyl(cyclopentyl)amino]ethanimidamide
CID 64475175

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide (CID 83047158) is 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide is NC(CN(C1CCCC1)S(=O)(=O)CCCC(F)(F)F)=NO.
What is the InChIKey of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is WKCXVRALLJJENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3S/c12-11(13,14)6-3-7-21(19,20)17(8-10(15)16-18)9-4-1-2-5-9/h9,18H,1-8H2,(H2,15,16).
What are the key properties of 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 331.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 83047158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).