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

C7H14F3N3O3S — CID 83059730

IUPACN'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESNC(CCNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)3-1-5-17(15,16)12-4-2-6(11)13-14/h12,14H,1-5H2,(H2,11,13)
InChIKeyPQBNMQTYOOWCPP-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.38
Rot. Bonds7

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

N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (PubChem CID 83059730) has the molecular formula C7H14F3N3O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
PubChem CID83059730
Molecular FormulaC7H14F3N3O3S
Molecular Weight277.27 g/mol
Exact Mass277.07
IUPAC NameN'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide
SMILESNC(CCNS(=O)(=O)CCCC(F)(F)F)=NO
InChIInChI=1S/C7H14F3N3O3S/c8-7(9,10)3-1-5-17(15,16)12-4-2-6(11)13-14/h12,14H,1-5H2,(H2,11,13)
InChIKeyPQBNMQTYOOWCPP-UHFFFAOYSA-N
XLogP0.38
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.38
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-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide (CID 83059730) is N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is NC(CCNS(=O)(=O)CCCC(F)(F)F)=NO.
What is the InChIKey of N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
The InChIKey is PQBNMQTYOOWCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O3S/c8-7(9,10)3-1-5-17(15,16)12-4-2-6(11)13-14/h12,14H,1-5H2,(H2,11,13).
What are the key properties of N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide?
N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide has a molecular weight of 277.27 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4,4,4-trifluorobutylsulfonylamino)propanimidamide is sourced from PubChem (CID 83059730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).