dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate

C14H18O5S2 — CID 175947716

IUPACdimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate
SMILESCOCCSc1sc2c(c1C(=O)OC)CC(C(=O)OC)C2
InChIInChI=1S/C14H18O5S2/c1-17-4-5-20-14-11(13(16)19-3)9-6-8(12(15)18-2)7-10(9)21-14/h8H,4-7H2,1-3H3
InChIKeyISPDYUBVYOEGDL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.16
Rot. Bonds6

About dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate

dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate (PubChem CID 175947716) has the molecular formula C14H18O5S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate
PubChem CID175947716
Molecular FormulaC14H18O5S2
Molecular Weight330.43 g/mol
Exact Mass330.06
IUPAC Namedimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate
SMILESCOCCSc1sc2c(c1C(=O)OC)CC(C(=O)OC)C2
InChIInChI=1S/C14H18O5S2/c1-17-4-5-20-14-11(13(16)19-3)9-6-8(12(15)18-2)7-10(9)21-14/h8H,4-7H2,1-3H3
InChIKeyISPDYUBVYOEGDL-UHFFFAOYSA-N
XLogP2.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate 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

dimethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate
CID 163298796
methyl 5-amino-2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146284326
methyl (6S)-6-ethyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 40538806
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7546428
methyl (6R)-2-[(4-ethylsulfanylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 7579258
methyl 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 23833319
methyl 2-(cyclohexylcarbamoylamino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4517664
methyl 2-[(2-chloroacetyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5113019
methyl 6-ethyl-2-[[6-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-oxohexanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4059658
methyl 6-ethyl-2-[[5-[(6-ethyl-3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4229116
(3R)-1-cyclohexyl-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 40590696
methyl 6-ethyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 3288039

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate (CID 175947716) is dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate is COCCSc1sc2c(c1C(=O)OC)CC(C(=O)OC)C2.
What is the InChIKey of dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate?
The InChIKey is ISPDYUBVYOEGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5S2/c1-17-4-5-20-14-11(13(16)19-3)9-6-8(12(15)18-2)7-10(9)21-14/h8H,4-7H2,1-3H3.
What are the key properties of dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate?
dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methoxyethylsulfanyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3,5-dicarboxylate is sourced from PubChem (CID 175947716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).