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

C10H20F3N3O3S — CID 83058936

IUPACN'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-8(2)16(6-4-9(14)15-17)20(18,19)7-3-5-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyANZJCZPNRNAFQY-UHFFFAOYSA-N
MW319.35 g/mol
LogP1.51
Rot. Bonds8

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

N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (PubChem CID 83058936) has the molecular formula C10H20F3N3O3S and a molecular weight of 319.35 g/mol. Its IUPAC name is N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
PubChem CID83058936
Molecular FormulaC10H20F3N3O3S
Molecular Weight319.35 g/mol
Exact Mass319.12
IUPAC NameN'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide
SMILESCC(C)N(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H20F3N3O3S/c1-8(2)16(6-4-9(14)15-17)20(18,19)7-3-5-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15)
InChIKeyANZJCZPNRNAFQY-UHFFFAOYSA-N
XLogP1.51
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 51.51
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide (CID 83058936) is N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is CC(C)N(CCC(N)=NO)S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
The InChIKey is ANZJCZPNRNAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O3S/c1-8(2)16(6-4-9(14)15-17)20(18,19)7-3-5-10(11,12)13/h8,17H,3-7H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide?
N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide has a molecular weight of 319.35 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[propan-2-yl(4,4,4-trifluorobutylsulfonyl)amino]propanimidamide is sourced from PubChem (CID 83058936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).