2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide

C10H20F3N3O3S — CID 83057939

IUPAC2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H20F3N3O3S/c1-3-9(4-2,8(14)15-17)16-20(18,19)7-5-6-10(11,12)13/h16-17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyACNLFIGGPRTCSI-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.55
Rot. Bonds8

About 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide

2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (PubChem CID 83057939) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
PubChem CID83057939
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC Name2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide
SMILESCCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C10H20F3N3O3S/c1-3-9(4-2,8(14)15-17)16-20(18,19)7-5-6-10(11,12)13/h16-17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyACNLFIGGPRTCSI-UHFFFAOYSA-N
XLogP1.55
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.55
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

CID 83047154
CID 83047154
CID 83058107
CID 83058107
CID 83058245
CID 83058245
CID 83058259
CID 83058259
CID 83058393
CID 83058393
CID 83058821
CID 83058821
CID 112495506
CID 112495506
CID 112495867
CID 112495867
CID 76988701
CID 76988701
CID 77008588
CID 77008588
CID 77008689
CID 77008689
CID 77017208
CID 77017208

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide (CID 83057939) is 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is CCC(CC)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO.
What is the InChIKey of 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
The InChIKey is ACNLFIGGPRTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c1-3-9(4-2,8(14)15-17)16-20(18,19)7-5-6-10(11,12)13/h16-17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide?
2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide has a molecular weight of 319.35 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanimidamide is sourced from PubChem (CID 83057939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).