O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine

C12H17FN2O3S — CID 39390371

IUPACO-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
SMILESNOCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(16,17)15-7-5-10(6-8-15)9-18-14/h1-4,10H,5-9,14H2
InChIKeyIFFSKKWNJMYABG-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.12
Rot. Bonds4

About O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine

O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine (PubChem CID 39390371) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
PubChem CID39390371
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameO-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
SMILESNOCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(16,17)15-7-5-10(6-8-15)9-18-14/h1-4,10H,5-9,14H2
InChIKeyIFFSKKWNJMYABG-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
ethyl 4-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 2921895
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 110638702
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772

Frequently Asked Questions

What is the IUPAC name of O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine?
The IUPAC name of O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine (CID 39390371) is O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine is NOCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine?
The InChIKey is IFFSKKWNJMYABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-1-3-12(4-2-11)19(16,17)15-7-5-10(6-8-15)9-18-14/h1-4,10H,5-9,14H2.
What are the key properties of O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine?
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine has a molecular weight of 288.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine is sourced from PubChem (CID 39390371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).