N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide

C14H18N2OS — CID 5194408

IUPACN-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide
SMILESCC1=CC(=NNC(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C14H18N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyJIKXSVJEBSOWSR-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.60
Rot. Bonds2

About N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide

N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide (PubChem CID 5194408) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide
PubChem CID5194408
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide
SMILESCC1=CC(=NNC(=O)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C14H18N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-7H,8-9H2,1-3H3,(H,16,17)
InChIKeyJIKXSVJEBSOWSR-UHFFFAOYSA-N
XLogP3.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.60
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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Frequently Asked Questions

What is the IUPAC name of N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide?
The IUPAC name of N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide (CID 5194408) is N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide?
The canonical SMILES for N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide is CC1=CC(=NNC(=O)c2cccs2)CC(C)(C)C1.
What is the InChIKey of N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide?
The InChIKey is JIKXSVJEBSOWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10-7-11(9-14(2,3)8-10)15-16-13(17)12-5-4-6-18-12/h4-7H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide?
N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]thiophene-2-carboxamide is sourced from PubChem (CID 5194408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).