dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate

C19H19NO4S — CID 101357266

IUPACdimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c/c(=N/c3ccccc3)sc(C)c2C1
InChIInChI=1S/C19H19NO4S/c1-12-15-11-19(17(21)23-2,18(22)24-3)10-13(15)9-16(25-12)20-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3/b20-16-
InChIKeyATMLHJLCSAAAOY-SILNSSARSA-N
MW357.43 g/mol
LogP2.72
Rot. Bonds3

About dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate

dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate (PubChem CID 101357266) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
PubChem CID101357266
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Namedimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c/c(=N/c3ccccc3)sc(C)c2C1
InChIInChI=1S/C19H19NO4S/c1-12-15-11-19(17(21)23-2,18(22)24-3)10-13(15)9-16(25-12)20-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3/b20-16-
InChIKeyATMLHJLCSAAAOY-SILNSSARSA-N
XLogP2.72
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-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

tetramethyl 1,3-dihydroindene-2,2,4,6-tetracarboxylate
CID 11727810
dimethyl 5-hydroxy-4,6-dimethyl-1,3-dihydroindene-2,2-dicarboxylate
CID 134929299
dimethyl 4-methyl-6-trimethylsilyl-1,3-dihydroindene-2,2-dicarboxylate
CID 11544278
dimethyl 5-oxo-4,6-diphenyl-1,3-dihydropentalene-2,2-dicarboxylate
CID 11165142
tetramethyl 4-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,9(16),10(14)-pentaene-7,7,12,12-tetracarboxylate
CID 102483815
dimethyl 2-acetyl-1,3-dihydroindene-2,5-dicarboxylate
CID 10468672
dibenzyl 3-ethylimino-1,4-dimethyl-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate
CID 72713053
dimethyl 1,4-dimethyl-3-[(1R)-1-phenylethyl]-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 102452861
methyl 1-(2-methyl-1-benzothiophen-3-yl)cyclopropane-1-carboxylate
CID 116987525
dimethyl 5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-4-methyl-1,3-dihydroindene-2,2-dicarboxylate
CID 102184577
dimethyl 3-acetyl-4-[(Z)-4-ethoxy-4-oxo-3-phenylbut-2-en-2-yl]cyclopent-3-ene-1,1-dicarboxylate
CID 101444879
dimethyl 3-(chloromethyl)-1-trimethylsilyl-5,7-dihydrocyclopenta[c]pyridine-6,6-dicarboxylate
CID 101408805

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate (CID 101357266) is dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2c/c(=N/c3ccccc3)sc(C)c2C1.
What is the InChIKey of dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate?
The InChIKey is ATMLHJLCSAAAOY-SILNSSARSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-12-15-11-19(17(21)23-2,18(22)24-3)10-13(15)9-16(25-12)20-14-7-5-4-6-8-14/h4-9H,10-11H2,1-3H3/b20-16-.
What are the key properties of dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate?
dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate has a molecular weight of 357.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-3-phenylimino-5,7-dihydrocyclopenta[c]thiopyran-6,6-dicarboxylate is sourced from PubChem (CID 101357266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).