N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide

C16H22N2O2S — CID 3963431

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(NC(=O)CON=Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C16H22N2O2S/c1-11(15-8-12-4-5-13(15)7-12)18-16(19)10-20-17-9-14-3-2-6-21-14/h2-3,6,9,11-13,15H,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyIEAPLAHGKCBITI-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide (PubChem CID 3963431) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide
PubChem CID3963431
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(NC(=O)CON=Cc1cccs1)C1CC2CCC1C2
InChIInChI=1S/C16H22N2O2S/c1-11(15-8-12-4-5-13(15)7-12)18-16(19)10-20-17-9-14-3-2-6-21-14/h2-3,6,9,11-13,15H,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyIEAPLAHGKCBITI-UHFFFAOYSA-N
XLogP3.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
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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Related Compounds

N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 75265020
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]thiophene-2-carboxamide
CID 129376616
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[(E)-[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]oxyacetamide
CID 42904150
N,N-di(propan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
CID 78767027
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-bromoacetamide
CID 60651144
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54924868
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2,6-dichlorobenzoate
CID 4199382
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pentanediamide
CID 3500052
[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] 2-fluorobenzoate
CID 4287753

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide (CID 3963431) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide is CC(NC(=O)CON=Cc1cccs1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The InChIKey is IEAPLAHGKCBITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(15-8-12-4-5-13(15)7-12)18-16(19)10-20-17-9-14-3-2-6-21-14/h2-3,6,9,11-13,15H,4-5,7-8,10H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide has a molecular weight of 306.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(thiophen-2-ylmethylideneamino)oxyacetamide is sourced from PubChem (CID 3963431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).