methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate

C15H22N2O4S — CID 6375482

IUPACmethyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CO/N=C(/C)c1cccs1
InChIInChI=1S/C15H22N2O4S/c1-12(13-7-6-10-22-13)17-21-11-14(18)16-9-5-3-4-8-15(19)20-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)/b17-12-
InChIKeyJENAEZINAWOXHD-ATVHPVEESA-N
MW326.42 g/mol
LogP2.34
Rot. Bonds10

About methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate

methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate (PubChem CID 6375482) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
PubChem CID6375482
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Namemethyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)CO/N=C(/C)c1cccs1
InChIInChI=1S/C15H22N2O4S/c1-12(13-7-6-10-22-13)17-21-11-14(18)16-9-5-3-4-8-15(19)20-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)/b17-12-
InChIKeyJENAEZINAWOXHD-ATVHPVEESA-N
XLogP2.34
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate with MolForge

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Related Compounds

methyl 6-[[(Z)-1-thiophen-2-ylethylideneamino]carbamothioylamino]hexanoate
CID 9350379
N-(2-tert-butylsulfanylethyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3348559
methyl 4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]butanoate
CID 108807722
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N'-[2-(1-thiophen-2-ylethylideneamino)oxyacetyl]benzohydrazide
CID 4280753
N-(4-methylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410197
N-(1-methoxybutan-2-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376334
N-[(4-methoxyphenyl)methylideneamino]-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 4149089
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N-(4-bromophenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5452515
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate (CID 6375482) is methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate is COC(=O)CCCCCNC(=O)CO/N=C(/C)c1cccs1.
What is the InChIKey of methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate?
The InChIKey is JENAEZINAWOXHD-ATVHPVEESA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(13-7-6-10-22-13)17-21-11-14(18)16-9-5-3-4-8-15(19)20-2/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)/b17-12-.
What are the key properties of methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate?
methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate has a molecular weight of 326.42 g/mol, XLogP of 2.34, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]hexanoate is sourced from PubChem (CID 6375482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).