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

C11H15N3O2S — CID 5333361

IUPACN-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-8(2)6-12-10(15)11(16)14-13-7-9-4-3-5-17-9/h3-5,7-8H,6H2,1-2H3,(H,12,15)(H,14,16)/b13-7+
InChIKeyVLGZQXIQYNOEDW-NTUHNPAUSA-N
MW253.33 g/mol
LogP0.97
Rot. Bonds4

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

N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (PubChem CID 5333361) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
PubChem CID5333361
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-8(2)6-12-10(15)11(16)14-13-7-9-4-3-5-17-9/h3-5,7-8H,6H2,1-2H3,(H,12,15)(H,14,16)/b13-7+
InChIKeyVLGZQXIQYNOEDW-NTUHNPAUSA-N
XLogP0.97
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
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-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The IUPAC name of N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (CID 5333361) is N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is CC(C)CNC(=O)C(=O)N/N=C/c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The InChIKey is VLGZQXIQYNOEDW-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(2)6-12-10(15)11(16)14-13-7-9-4-3-5-17-9/h3-5,7-8H,6H2,1-2H3,(H,12,15)(H,14,16)/b13-7+.
What are the key properties of N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide has a molecular weight of 253.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 5333361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).