3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide

C6H13F2N3O3S — CID 62651828

IUPAC3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2N3O3S/c1-2-4(3-5(9)10-12)11-15(13,14)6(7)8/h4,6,11-12H,2-3H2,1H3,(H2,9,10)
InChIKeyRNBXSRATNDWAJP-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.04
Rot. Bonds6

About 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide

3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 62651828) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID62651828
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)NS(=O)(=O)C(F)F
InChIInChI=1S/C6H13F2N3O3S/c1-2-4(3-5(9)10-12)11-15(13,14)6(7)8/h4,6,11-12H,2-3H2,1H3,(H2,9,10)
InChIKeyRNBXSRATNDWAJP-UHFFFAOYSA-N
XLogP0.04
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.04
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 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide (CID 62651828) is 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)NS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is RNBXSRATNDWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c1-2-4(3-5(9)10-12)11-15(13,14)6(7)8/h4,6,11-12H,2-3H2,1H3,(H2,9,10).
What are the key properties of 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 245.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 62651828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).