ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate

C14H19NO2S — CID 174355593

IUPACethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC=CCCC2)csc1N
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)12-11(9-18-13(12)15)10-7-5-3-4-6-8-10/h3,5,9-10H,2,4,6-8,15H2,1H3
InChIKeyYSDLEEOEMMCAIG-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.72
Rot. Bonds3

About ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate

ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate (PubChem CID 174355593) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
PubChem CID174355593
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC=CCCC2)csc1N
InChIInChI=1S/C14H19NO2S/c1-2-17-14(16)12-11(9-18-13(12)15)10-7-5-3-4-6-8-10/h3,5,9-10H,2,4,6-8,15H2,1H3
InChIKeyYSDLEEOEMMCAIG-UHFFFAOYSA-N
XLogP3.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate 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

ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-amino-4-(3,3-difluorocyclobutyl)thiophene-3-carboxylate
CID 139391371
methyl 2-amino-4-cyclopentylthiophene-3-carboxylate
CID 62633873
ethyl 2-amino-4-(3,4-dihydro-2H-chromen-3-yl)thiophene-3-carboxylate
CID 139391406
ethyl 2-amino-4-(4-cyclopropylphenyl)thiophene-3-carboxylate
CID 14142699
ethyl 2-amino-4-(fluoromethyl)thiophene-3-carboxylate
CID 70892196
ethyl 2-amino-4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]thiophene-3-carboxylate
CID 788351
ethyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-cyclopropylthiophene-3-carboxylate
CID 19100735
ethyl 4-cyclopropyl-2-[(2-pyrrolidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 8901519
ethyl 2-[(2-amino-2-methylbutanoyl)amino]-4-cyclopropylthiophene-3-carboxylate
CID 79792134
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
2-amino-4-cyclohexyl-N,N-dimethylthiophene-3-carboxamide
CID 43805517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate (CID 174355593) is ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate is CCOC(=O)c1c(C2CC=CCCC2)csc1N.
What is the InChIKey of ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate?
The InChIKey is YSDLEEOEMMCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-2-17-14(16)12-11(9-18-13(12)15)10-7-5-3-4-6-8-10/h3,5,9-10H,2,4,6-8,15H2,1H3.
What are the key properties of ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate?
ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate has a molecular weight of 265.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-cyclohept-3-en-1-ylthiophene-3-carboxylate is sourced from PubChem (CID 174355593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).