1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

C8H15F2N3O3S — CID 107162662

IUPAC1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H15F2N3O3S/c1-8(6(11)12-14)2-4-13(5-3-8)17(15,16)7(9)10/h7,14H,2-5H2,1H3,(H2,11,12)
InChIKeyATIVJFBQNFWAKE-UHFFFAOYSA-N
MW271.29 g/mol
LogP0.39
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide

1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (PubChem CID 107162662) has the molecular formula C8H15F2N3O3S and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
PubChem CID107162662
Molecular FormulaC8H15F2N3O3S
Molecular Weight271.29 g/mol
Exact Mass271.08
IUPAC Name1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
SMILESCC1(C(N)=NO)CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C8H15F2N3O3S/c1-8(6(11)12-14)2-4-13(5-3-8)17(15,16)7(9)10/h7,14H,2-5H2,1H3,(H2,11,12)
InChIKeyATIVJFBQNFWAKE-UHFFFAOYSA-N
XLogP0.39
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 50.39
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

N'-hydroxy-4-methyl-1-(2-propan-2-yloxyethylsulfonyl)piperidine-4-carboximidamide
CID 107162672
1-(difluoromethylsulfonyl)-N,4-dimethylpiperidin-4-amine
CID 115304771
1-(difluoromethylsulfonyl)pyrrolidine
CID 58435998
N'-hydroxy-4-methyl-1-(2-methylpyrazol-3-yl)sulfonylpiperidine-4-carboximidamide
CID 107162716
1-(3-ethylsulfonylpropyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107161897
1-(difluoromethylsulfonyl)-3-methylpiperidine-3-carboxylic acid
CID 63136084
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162680
1-(difluoromethylsulfonyl)azepane
CID 58435955
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162654
3-(difluoromethylsulfonyl)-3-azaspiro[5.5]undecane
CID 58435995
N'-hydroxy-4-methyl-1-(2-methylsulfanylacetyl)piperidine-4-carboximidamide
CID 107162505
N'-hydroxy-4-methyl-1-(2-methylbutyl)piperidine-4-carboximidamide
CID 107161764

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide (CID 107162662) is 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is CC1(C(N)=NO)CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
The InChIKey is ATIVJFBQNFWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N3O3S/c1-8(6(11)12-14)2-4-13(5-3-8)17(15,16)7(9)10/h7,14H,2-5H2,1H3,(H2,11,12).
What are the key properties of 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide?
1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide has a molecular weight of 271.29 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).