N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide

C10H18F3N3O3S — CID 83058394

IUPACN'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)4-2-6-20(18,19)16-5-1-3-8(7-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyHBNQUYYOVKRPFL-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.12
Rot. Bonds5

About N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide

N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide (PubChem CID 83058394) has the molecular formula C10H18F3N3O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide
PubChem CID83058394
Molecular FormulaC10H18F3N3O3S
Molecular Weight317.33 g/mol
Exact Mass317.10
IUPAC NameN'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide
SMILESNC(=NO)C1CCCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O3S/c11-10(12,13)4-2-6-20(18,19)16-5-1-3-8(7-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15)
InChIKeyHBNQUYYOVKRPFL-UHFFFAOYSA-N
XLogP1.12
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.12
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 N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide (CID 83058394) is N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide is NC(=NO)C1CCCN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide?
The InChIKey is HBNQUYYOVKRPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O3S/c11-10(12,13)4-2-6-20(18,19)16-5-1-3-8(7-16)9(14)15-17/h8,17H,1-7H2,(H2,14,15).
What are the key properties of N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide?
N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide has a molecular weight of 317.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4,4,4-trifluorobutylsulfonyl)piperidine-3-carboximidamide is sourced from PubChem (CID 83058394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).