2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide

C15H23N3O2S — CID 126805518

IUPAC2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
SMILESNC(=NOCC(=O)NC1CCCCCCC1)c1cccs1
InChIInChI=1S/C15H23N3O2S/c16-15(13-9-6-10-21-13)18-20-11-14(19)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H2,16,18)(H,17,19)
InChIKeyYRDWMRGBVDXLLG-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.61
Rot. Bonds5

About 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide

2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide (PubChem CID 126805518) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide.

Molecular Properties

Compound Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
PubChem CID126805518
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide
SMILESNC(=NOCC(=O)NC1CCCCCCC1)c1cccs1
InChIInChI=1S/C15H23N3O2S/c16-15(13-9-6-10-21-13)18-20-11-14(19)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H2,16,18)(H,17,19)
InChIKeyYRDWMRGBVDXLLG-UHFFFAOYSA-N
XLogP2.61
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.61
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[amino-(4-bromothiophen-2-yl)methylidene]amino]oxy-N-cyclohexylacetamide
CID 87024134
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-cycloheptylacetamide
CID 51654514
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-(4-chlorophenyl)acetamide
CID 47118154
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
[2-(cyclooctylamino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55556918
2-[(E)-[amino(thiophen-2-yl)methylidene]amino]oxy-N-(2,5-dimethylphenyl)acetamide
CID 51228208
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
2-[[1-amino-2-(4-methyl-1,3-thiazol-2-yl)ethylidene]amino]oxy-N-cyclohexylacetamide
CID 103598636
[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3220263
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6183388

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide?
The IUPAC name of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide (CID 126805518) is 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide.
What is the SMILES notation for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide?
The canonical SMILES for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide is NC(=NOCC(=O)NC1CCCCCCC1)c1cccs1.
What is the InChIKey of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide?
The InChIKey is YRDWMRGBVDXLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-15(13-9-6-10-21-13)18-20-11-14(19)17-12-7-4-2-1-3-5-8-12/h6,9-10,12H,1-5,7-8,11H2,(H2,16,18)(H,17,19).
What are the key properties of 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide?
2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide has a molecular weight of 309.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(thiophen-2-yl)methylidene]amino]oxy-N-cyclooctylacetamide is sourced from PubChem (CID 126805518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).