N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide

C11H15N3O2S — CID 5333280

IUPACN',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-3-14(4-2)11(16)10(15)13-12-8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15)/b12-8+
InChIKeyKZMLKMMGCXDMIM-XYOKQWHBSA-N
MW253.33 g/mol
LogP1.07
Rot. Bonds4

About N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide

N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide (PubChem CID 5333280) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide
PubChem CID5333280
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCCN(CC)C(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-3-14(4-2)11(16)10(15)13-12-8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15)/b12-8+
InChIKeyKZMLKMMGCXDMIM-XYOKQWHBSA-N
XLogP1.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The IUPAC name of N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide (CID 5333280) is N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The canonical SMILES for N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide is CCN(CC)C(=O)C(=O)N/N=C/c1cccs1.
What is the InChIKey of N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The InChIKey is KZMLKMMGCXDMIM-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-3-14(4-2)11(16)10(15)13-12-8-9-6-5-7-17-9/h5-8H,3-4H2,1-2H3,(H,13,15)/b12-8+.
What are the key properties of N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide?
N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide has a molecular weight of 253.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 5333280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).