5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide

C6H13F2N3O3S — CID 77036691

IUPAC5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)C(F)F)=NO
InChIInChI=1S/C6H13F2N3O3S/c7-6(8)15(13,14)10-4-2-1-3-5(9)11-12/h6,10,12H,1-4H2,(H2,9,11)
InChIKeyKLSJMSVROXIJHM-UHFFFAOYSA-N
MW245.25 g/mol
LogP0.05
Rot. Bonds7

About 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide

5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide (PubChem CID 77036691) has the molecular formula C6H13F2N3O3S and a molecular weight of 245.25 g/mol. Its IUPAC name is 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
PubChem CID77036691
Molecular FormulaC6H13F2N3O3S
Molecular Weight245.25 g/mol
Exact Mass245.06
IUPAC Name5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNS(=O)(=O)C(F)F)=NO
InChIInChI=1S/C6H13F2N3O3S/c7-6(8)15(13,14)10-4-2-1-3-5(9)11-12/h6,10,12H,1-4H2,(H2,9,11)
InChIKeyKLSJMSVROXIJHM-UHFFFAOYSA-N
XLogP0.05
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide (CID 77036691) is 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide is NC(CCCCNS(=O)(=O)C(F)F)=NO.
What is the InChIKey of 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
The InChIKey is KLSJMSVROXIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N3O3S/c7-6(8)15(13,14)10-4-2-1-3-5(9)11-12/h6,10,12H,1-4H2,(H2,9,11).
What are the key properties of 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide?
5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide has a molecular weight of 245.25 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfonylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77036691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).