1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide

C7H13F2N3O3S — CID 77041934

IUPAC1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-4-2-1-3-5(12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyYKAWGKNBGNACHV-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.14
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide

1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide (PubChem CID 77041934) has the molecular formula C7H13F2N3O3S and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide
PubChem CID77041934
Molecular FormulaC7H13F2N3O3S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC Name1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-4-2-1-3-5(12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11)
InChIKeyYKAWGKNBGNACHV-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide?
The IUPAC name of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide (CID 77041934) is 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide?
The canonical SMILES for 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide is NC(=NO)C1CCCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide?
The InChIKey is YKAWGKNBGNACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O3S/c8-7(9)16(14,15)12-4-2-1-3-5(12)6(10)11-13/h5,7,13H,1-4H2,(H2,10,11).
What are the key properties of 1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide?
1-(difluoromethylsulfonyl)-N'-hydroxypiperidine-2-carboximidamide has a molecular weight of 257.26 g/mol, XLogP of 0.14, 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-2-carboximidamide is sourced from PubChem (CID 77041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).