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

C11H15N3O2S — CID 20846152

IUPACN-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)13-9(15)10(16)14-12-7-8-5-4-6-17-8/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-7+
InChIKeyPYMMUDBWTKOFDH-KPKJPENVSA-N
MW253.33 g/mol
LogP1.11
Rot. Bonds2

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

N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (PubChem CID 20846152) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
PubChem CID20846152
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
SMILESCC(C)(C)NC(=O)C(=O)N/N=C/c1cccs1
InChIInChI=1S/C11H15N3O2S/c1-11(2,3)13-9(15)10(16)14-12-7-8-5-4-6-17-8/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-7+
InChIKeyPYMMUDBWTKOFDH-KPKJPENVSA-N
XLogP1.11
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.11
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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Related Compounds

N-(2-methoxyethyl)-2-oxo-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetamide
CID 5810451
N',N'-diethyl-N-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333280
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
N-isobutyl-3-oxo-3-[2-(2-thienylmethylene)hydrazino]propanamide
CID 6075568
2-oxo-N-propyl-2-[(2E)-2-(thien-2-ylmethylene)hydrazino]acetamide
CID 9596811
N-isopropyl-2-{N'-[(E)-thiophen-2-ylmethylidene]hydrazinecarbonyl}acetamide
CID 6065517
N-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]carbamoylcarboxamide
CID 6902001
N-(2-methylpropyl)-1-{N'-[(E)-(3-methylthiophen-2-yl)methylidene]hydrazinecarbonyl}formamide
CID 9593719
2-oxo-2-(1-pyrrolidinyl)-N'-(2-thienylmethylene)acetohydrazide
CID 5333347
2-(1-azepanyl)-N'-(2-thienylmethylene)acetohydrazide
CID 5338377
2-(dimethylamino)-N-[(E)-1-thiophen-2-ylbutylideneamino]acetamide
CID 15703313
N'-((thiophen-2-yl)methylidene)propanehydrazide
CID 93512179

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The IUPAC name of N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide (CID 20846152) is N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide.
What is the SMILES notation for N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The canonical SMILES for N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is CC(C)(C)NC(=O)C(=O)N/N=C/c1cccs1.
What is the InChIKey of N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
The InChIKey is PYMMUDBWTKOFDH-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-11(2,3)13-9(15)10(16)14-12-7-8-5-4-6-17-8/h4-7H,1-3H3,(H,13,15)(H,14,16)/b12-7+.
What are the key properties of N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide?
N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide has a molecular weight of 253.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide is sourced from PubChem (CID 20846152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).