N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide

C12H18N2O2S — CID 75265020

IUPACN-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(C)C(C)NC(=O)CON=Cc1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)10(3)14-12(15)8-16-13-7-11-5-4-6-17-11/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHZKLMNBUSACJLG-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.26
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide

N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide (PubChem CID 75265020) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
PubChem CID75265020
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide
SMILESCC(C)C(C)NC(=O)CON=Cc1cccs1
InChIInChI=1S/C12H18N2O2S/c1-9(2)10(3)14-12(15)8-16-13-7-11-5-4-6-17-11/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHZKLMNBUSACJLG-UHFFFAOYSA-N
XLogP2.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide (CID 75265020) is N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide is CC(C)C(C)NC(=O)CON=Cc1cccs1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
The InChIKey is HZKLMNBUSACJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)10(3)14-12(15)8-16-13-7-11-5-4-6-17-11/h4-7,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide?
N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide has a molecular weight of 254.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(thiophen-2-ylmethylideneamino)oxyacetamide is sourced from PubChem (CID 75265020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).