N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

C9H18F3N3O3S — CID 104873852

IUPACN'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,7(13)15-16)6-14-19(17,18)5-3-4-9(10,11)12/h14,16H,3-6H2,1-2H3,(H2,13,15)
InChIKeyZDIXKQXEXCVJJN-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.02
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide

N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (PubChem CID 104873852) has the molecular formula C9H18F3N3O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
PubChem CID104873852
Molecular FormulaC9H18F3N3O3S
Molecular Weight305.32 g/mol
Exact Mass305.10
IUPAC NameN'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESCC(C)(CNS(=O)(=O)CCCC(F)(F)F)C(N)=NO
InChIInChI=1S/C9H18F3N3O3S/c1-8(2,7(13)15-16)6-14-19(17,18)5-3-4-9(10,11)12/h14,16H,3-6H2,1-2H3,(H2,13,15)
InChIKeyZDIXKQXEXCVJJN-UHFFFAOYSA-N
XLogP1.02
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.02
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-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (CID 104873852) is N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is CC(C)(CNS(=O)(=O)CCCC(F)(F)F)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The InChIKey is ZDIXKQXEXCVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O3S/c1-8(2,7(13)15-16)6-14-19(17,18)5-3-4-9(10,11)12/h14,16H,3-6H2,1-2H3,(H2,13,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide has a molecular weight of 305.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is sourced from PubChem (CID 104873852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).