N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide

C10H20F3N3O4S — CID 83047156

IUPACN'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O4S/c1-20-7-6-16(5-3-9(14)15-17)21(18,19)8-2-4-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZALGSVLSXRUBBE-UHFFFAOYSA-N
MW335.35 g/mol
LogP0.74
Rot. Bonds10

About N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide

N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (PubChem CID 83047156) has the molecular formula C10H20F3N3O4S and a molecular weight of 335.35 g/mol. Its IUPAC name is N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
PubChem CID83047156
Molecular FormulaC10H20F3N3O4S
Molecular Weight335.35 g/mol
Exact Mass335.11
IUPAC NameN'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCOCCN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O4S/c1-20-7-6-16(5-3-9(14)15-17)21(18,19)8-2-4-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15)
InChIKeyZALGSVLSXRUBBE-UHFFFAOYSA-N
XLogP0.74
TPSA105.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (CID 83047156) is N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is COCCN(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The InChIKey is ZALGSVLSXRUBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O4S/c1-20-7-6-16(5-3-9(14)15-17)21(18,19)8-2-4-10(11,12)13/h17H,2-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide has a molecular weight of 335.35 g/mol, XLogP of 0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-methoxyethyl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 83047156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).