1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone

C14H20N2O2S — CID 75981058

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
SMILESCC1CCCC(C)N1C(=O)CON=Cc1cccs1
InChIInChI=1S/C14H20N2O2S/c1-11-5-3-6-12(2)16(11)14(17)10-18-15-9-13-7-4-8-19-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKeySETKZRDLCNDGFF-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.89
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone (PubChem CID 75981058) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
PubChem CID75981058
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone
SMILESCC1CCCC(C)N1C(=O)CON=Cc1cccs1
InChIInChI=1S/C14H20N2O2S/c1-11-5-3-6-12(2)16(11)14(17)10-18-15-9-13-7-4-8-19-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3
InChIKeySETKZRDLCNDGFF-UHFFFAOYSA-N
XLogP2.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone (CID 75981058) is 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone is CC1CCCC(C)N1C(=O)CON=Cc1cccs1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
The InChIKey is SETKZRDLCNDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-11-5-3-6-12(2)16(11)14(17)10-18-15-9-13-7-4-8-19-13/h4,7-9,11-12H,3,5-6,10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone has a molecular weight of 280.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(thiophen-2-ylmethylideneamino)oxyethanone is sourced from PubChem (CID 75981058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).