1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide

C7H13F2N3O3S — CID 77041545

IUPAC1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-3-1-2-5(4-12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyHVJVFOMJHMGESE-UHFFFAOYSA-N
MW257.26 g/mol
LogP-0.00
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide

1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide (PubChem CID 77041545) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
PubChem CID77041545
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-3-1-2-5(4-12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyHVJVFOMJHMGESE-UHFFFAOYSA-N
XLogP-0.00
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
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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Related Compounds

1-(Difluoromethylsulfonyl)piperidine-4-carboximidamide
CID 64426316
1-(Difluoromethylsulfonyl)piperidine-3-carboximidamide
CID 64444295
1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-4-carboximidamide
CID 77038686
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide
CID 83058394
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-4-carboximidamide
CID 83058534
1-(4,4,4-Trifluorobutylsulfonyl)piperidine-3-carboximidamide
CID 83060163
N'-hydroxy-1-(2,2,2-trifluoroethylsulfamoyl)piperidine-3-carboximidamide
CID 104978507
4-piperidinecarboximidamide, N'-hydroxy-1-(methylsulfonyl)-
CID 22733244
N'-hydroxy-1-methylsulfonylpiperidine-4-carboximidamide
CID 73994017
N'-hydroxy-1-methylsulfonylpiperidine-3-carboximidamide
CID 77041439
3-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 79609484
N'-hydroxy-3-[methyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]propanimidamide
CID 79611483

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide (CID 77041545) is 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide is NC(=NO)C1CCCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
The InChIKey is HVJVFOMJHMGESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-3-1-2-5(4-12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11).
What are the key properties of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide?
1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide has a molecular weight of 257.26 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-3-carboximidamide is sourced from PubChem (CID 77041545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).