N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

C12H16N2O3S — CID 24702246

IUPACN-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCc1cccc(S(=O)(=O)N2CCC(=NO)CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-10-3-2-4-12(9-10)18(16,17)14-7-5-11(13-15)6-8-14/h2-4,9,15H,5-8H2,1H3
InChIKeyURWRHSCVDHOMIC-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.61
Rot. Bonds2

About N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 24702246) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID24702246
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESCc1cccc(S(=O)(=O)N2CCC(=NO)CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-10-3-2-4-12(9-10)18(16,17)14-7-5-11(13-15)6-8-14/h2-4,9,15H,5-8H2,1H3
InChIKeyURWRHSCVDHOMIC-UHFFFAOYSA-N
XLogP1.61
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-cyclopropylidene-1-(3-methylphenyl)sulfonylpiperidine
CID 121187182
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24695757
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
1-(3-methylphenyl)sulfonylpyrrolidin-3-amine
CID 62069516
5-(3-methylphenyl)sulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 47138851
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
2-(3-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61019131
4-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 63125722
(3S,4S)-4-hydroxy-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135105405

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 24702246) is N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is Cc1cccc(S(=O)(=O)N2CCC(=NO)CC2)c1.
What is the InChIKey of N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is URWRHSCVDHOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10-3-2-4-12(9-10)18(16,17)14-7-5-11(13-15)6-8-14/h2-4,9,15H,5-8H2,1H3.
What are the key properties of N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 268.34 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 24702246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).