N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide

C15H20N2OS — CID 6166186

IUPACN-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide
SMILESCC1C2CC(C/C2=N/NC(=O)c2cccs2)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/b16-12-
InChIKeyYRQOWXOKZAQXES-VBKFSLOCSA-N
MW276.40 g/mol
LogP3.54
Rot. Bonds2

About N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide

N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide (PubChem CID 6166186) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide
PubChem CID6166186
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide
SMILESCC1C2CC(C/C2=N/NC(=O)c2cccs2)C1(C)C
InChIInChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/b16-12-
InChIKeyYRQOWXOKZAQXES-VBKFSLOCSA-N
XLogP3.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.54
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'}

Analyze N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide with MolForge

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Related Compounds

N'-bicyclo[3.2.0]hept-2-en-6-ylidene-2-thiophenecarbohydrazide
CID 6530763
N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
CID 6377558
N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556261
N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-thiophenecarbohydrazide
CID 9562816
N'-(Adamantan-2-ylidene)thiophene-2-carbohydrazide
CID 3952204
N'-(5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene)-2-thiophenecarbohydrazide
CID 5984264
N'-(3,5,5-trimethyl-2-cyclohexenyliden)-2-thiophenecarbohydrazide
CID 9611549
N'-(1,2,2-trimethylpropylidene)-2-thiophenecarbohydrazide
CID 9615607
N-[(E)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]thiophene-2-carboxamide
CID 31182343
N'-{5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ylidene}thiophene-2-carbohydrazide
CID 4620378
N-[(E)-2,3-dihydroinden-1-ylideneamino]thiophene-2-carboxamide
CID 6091352
N-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)amino]-2-thiophenecarboxamide
CID 5194408

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide (CID 6166186) is N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide is CC1C2CC(C/C2=N/NC(=O)c2cccs2)C1(C)C.
What is the InChIKey of N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide?
The InChIKey is YRQOWXOKZAQXES-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-11-7-10(15(9,2)3)8-12(11)16-17-14(18)13-5-4-6-19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18)/b16-12-.
What are the key properties of N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide?
N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 6166186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).