N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide

C14H20N2OS — CID 6377558

IUPACN-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
SMILESCC1C/C(=N/NC(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C14H20N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-6,10H,7-9H2,1-3H3,(H,16,17)/b15-11-
InChIKeyQLWRQWMJVNVGOM-PTNGSMBKSA-N
MW264.39 g/mol
LogP3.68
Rot. Bonds2

About N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide

N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide (PubChem CID 6377558) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
PubChem CID6377558
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
SMILESCC1C/C(=N/NC(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C14H20N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-6,10H,7-9H2,1-3H3,(H,16,17)/b15-11-
InChIKeyQLWRQWMJVNVGOM-PTNGSMBKSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.68
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)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-bicyclo[3.2.0]hept-2-en-6-ylidene-2-thiophenecarbohydrazide
CID 6530763
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880299
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiophene-2-carboxamide
CID 6880300
N'-cycloheptylidene-5-ethylthiophene-2-carbohydrazide
CID 24818600
N'-cycloheptylidene-3-methylthiophene-2-carbohydrazide
CID 24818601
4,5-dimethyl-N'-[1-(2-thienyl)propylidene]-3-thiophenecarbohydrazide
CID 5412332
4,5-dimethyl-N'-[1-(2-thienyl)butylidene]-3-thiophenecarbohydrazide
CID 6112937
N'-(5,5,6-trimethylbicyclo[2.2.1]hept-2-ylidene)thiophene-2-carbohydrazide
CID 6166186
N-(cyclopentylideneamino)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 16556261
N'-cycloheptylidenethiophene-2-carbohydrazide
CID 3143303
N'-cycloheptylidene-5-methylthiophene-2-carbohydrazide
CID 24819038
N'-(3,3-dimethyl-5-oxocyclohexylidene)-2-thiophenecarbohydrazide
CID 9562816

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide (CID 6377558) is N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide is CC1C/C(=N/NC(=O)c2cccs2)CC(C)(C)C1.
What is the InChIKey of N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide?
The InChIKey is QLWRQWMJVNVGOM-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-6,10H,7-9H2,1-3H3,(H,16,17)/b15-11-.
What are the key properties of N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide?
N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 6377558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).