5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde

C13H18N2OS — CID 143163376

IUPAC5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde
SMILES[H]/N=C(\C)c1cc(C=O)sc1NC1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-9(14)12-7-11(8-16)17-13(12)15-10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3/b14-9+
InChIKeyQWLJFPFLGYAGEL-NTEUORMPSA-N
MW250.37 g/mol
LogP3.69
Rot. Bonds4

About 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde

5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde (PubChem CID 143163376) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde
PubChem CID143163376
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde
SMILES[H]/N=C(\C)c1cc(C=O)sc1NC1CCCCC1
InChIInChI=1S/C13H18N2OS/c1-9(14)12-7-11(8-16)17-13(12)15-10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3/b14-9+
InChIKeyQWLJFPFLGYAGEL-NTEUORMPSA-N
XLogP3.69
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(4,4-Difluorocyclohexyl)amino]-4-ethanimidoylthiophene-2-carbonyl chloride
CID 176716495
N-cyclohexyl-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 136394076
5-(cyclohexylamino)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-ethanimidoylthiophene-2-carboxamide
CID 143163385
5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;(3S)-N,N-dimethyl-3-(methylamino)pyrrolidine-1-carboxamide
CID 143163397
5-(Cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;2-(methylamino)acetaldehyde;piperidin-4-ol
CID 143163407
5-(Cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde;4-(methylamino)butanoic acid
CID 143163411
5-(cyclohexylamino)-4-ethanimidoyl-N-(3-hydroxypropyl)thiophene-2-carboxamide
CID 143163423
5-(cyclohexylamino)-4-ethanimidoyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 143163424
Cyclohexyl-[3-ethanimidoyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]thiophen-2-yl]azanium
CID 147092185
Ethyl 4-[[5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbonyl]amino]butanoate
CID 154548453
N-[4-[(dimethylamino)methyl]cyclohexyl]-4-ethanimidoyl-5-(oxan-4-ylamino)thiophene-2-carboxamide
CID 154548456
5-(cyclohexylamino)-4-ethanimidoyl-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 163893927

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde?
The IUPAC name of 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde (CID 143163376) is 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde?
The canonical SMILES for 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde is [H]/N=C(\C)c1cc(C=O)sc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde?
The InChIKey is QWLJFPFLGYAGEL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(14)12-7-11(8-16)17-13(12)15-10-5-3-2-4-6-10/h7-8,10,14-15H,2-6H2,1H3/b14-9+.
What are the key properties of 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde?
5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde has a molecular weight of 250.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-4-ethanimidoylthiophene-2-carbaldehyde is sourced from PubChem (CID 143163376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).