N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide

C11H16N2OS — CID 5391936

IUPACN-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-8(11(2,3)4)12-13-10(14)9-6-5-7-15-9/h5-7H,1-4H3,(H,13,14)/b12-8-
InChIKeyXFALGXARRCCXER-WQLSENKSSA-N
MW224.33 g/mol
LogP2.90
Rot. Bonds2

About N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide

N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide (PubChem CID 5391936) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
PubChem CID5391936
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-8(11(2,3)4)12-13-10(14)9-6-5-7-15-9/h5-7H,1-4H3,(H,13,14)/b12-8-
InChIKeyXFALGXARRCCXER-WQLSENKSSA-N
XLogP2.90
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[1-(1-adamantyl)ethylideneamino]thiophene-2-carboxamide
CID 3983394
N-(4-phenylbut-3-en-2-ylideneamino)thiophene-2-carboxamide
CID 711620
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
ethyl 2-methyl-3-(thiophene-2-carbonylhydrazinylidene)butanoate
CID 3467381

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide (CID 5391936) is N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide is C/C(=N/NC(=O)c1cccs1)C(C)(C)C.
What is the InChIKey of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide?
The InChIKey is XFALGXARRCCXER-WQLSENKSSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(11(2,3)4)12-13-10(14)9-6-5-7-15-9/h5-7H,1-4H3,(H,13,14)/b12-8-.
What are the key properties of N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide?
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 5391936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).