N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

C8H16F3N3O3S — CID 83058107

IUPACN'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H16F3N3O3S/c1-7(2,6(12)13-15)14-18(16,17)5-3-4-8(9,10)11/h14-15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyIPLMEWOAINYQQC-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.77
Rot. Bonds6

About N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (PubChem CID 83058107) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.30 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
PubChem CID83058107
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.30 g/mol
Exact Mass291.09
IUPAC NameN'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESCC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C8H16F3N3O3S/c1-7(2,6(12)13-15)14-18(16,17)5-3-4-8(9,10)11/h14-15H,3-5H2,1-2H3,(H2,12,13)
InChIKeyIPLMEWOAINYQQC-UHFFFAOYSA-N
XLogP0.77
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (CID 83058107) is N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is CC(C)(NS(=O)(=O)CCCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The InChIKey is IPLMEWOAINYQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c1-7(2,6(12)13-15)14-18(16,17)5-3-4-8(9,10)11/h14-15H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide has a molecular weight of 291.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-2-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is sourced from PubChem (CID 83058107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).