ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate

C20H21NO2S — CID 146270718

IUPACethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc([C@@H](SCC)c2ccccc2)n2ccccc12
InChIInChI=1S/C20H21NO2S/c1-3-23-20(22)16-14-18(21-13-9-8-12-17(16)21)19(24-4-2)15-10-6-5-7-11-15/h5-14,19H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyJGBWNXGTAMRZDU-IBGZPJMESA-N
MW339.46 g/mol
LogP4.96
Rot. Bonds6

About ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate

ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate (PubChem CID 146270718) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
PubChem CID146270718
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Nameethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
SMILESCCOC(=O)c1cc([C@@H](SCC)c2ccccc2)n2ccccc12
InChIInChI=1S/C20H21NO2S/c1-3-23-20(22)16-14-18(21-13-9-8-12-17(16)21)19(24-4-2)15-10-6-5-7-11-15/h5-14,19H,3-4H2,1-2H3/t19-/m0/s1
InChIKeyJGBWNXGTAMRZDU-IBGZPJMESA-N
XLogP4.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-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 3-[(S)-3-methylbutylsulfanyl(phenyl)methyl]indolizine-1-carboxylate
CID 146270653
3-[(1-ethoxycarbonylindolizin-3-yl)-phenylmethyl]indolizine-1-carboxylic acid
CID 141317092
ethyl 3-[(S)-2-methylbutan-2-yloxy(phenyl)methyl]indolizine-1-carboxylate
CID 146270558
ethyl 3-[(S)-(3-methylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270141
ethyl 3-[(S)-(3,5-dimethylanilino)-phenylmethyl]indolizine-1-carboxylate
CID 146270137
ethyl 3-[(S)-anilino-(4-methylphenyl)methyl]indolizine-1-carboxylate
CID 146270144
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 3-pyridin-2-ylindolizine-1-carboxylate
CID 154722576
ethyl 1-benzhydrylsulfanyl-3-benzoylthieno[3,4-b]indolizine-4-carboxylate
CID 11146028
ethyl 1-(2-hydroxybenzoyl)indolizine-3-carboxylate
CID 175101033

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate?
The IUPAC name of ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate (CID 146270718) is ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate?
The canonical SMILES for ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate is CCOC(=O)c1cc([C@@H](SCC)c2ccccc2)n2ccccc12.
What is the InChIKey of ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate?
The InChIKey is JGBWNXGTAMRZDU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H21NO2S/c1-3-23-20(22)16-14-18(21-13-9-8-12-17(16)21)19(24-4-2)15-10-6-5-7-11-15/h5-14,19H,3-4H2,1-2H3/t19-/m0/s1.
What are the key properties of ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate?
ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(S)-ethylsulfanyl(phenyl)methyl]indolizine-1-carboxylate is sourced from PubChem (CID 146270718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).