ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate

C18H24N2O2S — CID 132536644

IUPACethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate
SMILESC=CCN1C(=S)N(C(C)C)[C@H](C(=O)OCC)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-5-12-19-15(14-10-8-7-9-11-14)16(17(21)22-6-2)20(13(3)4)18(19)23/h5,7-11,13,15-16H,1,6,12H2,2-4H3/t15-,16+/m1/s1
InChIKeyNYLFZJKIDYRJHM-CVEARBPZSA-N
MW332.47 g/mol
LogP3.16
Rot. Bonds6

About ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate

ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate (PubChem CID 132536644) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate
PubChem CID132536644
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Nameethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate
SMILESC=CCN1C(=S)N(C(C)C)[C@H](C(=O)OCC)[C@H]1c1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-5-12-19-15(14-10-8-7-9-11-14)16(17(21)22-6-2)20(13(3)4)18(19)23/h5,7-11,13,15-16H,1,6,12H2,2-4H3/t15-,16+/m1/s1
InChIKeyNYLFZJKIDYRJHM-CVEARBPZSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-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 (2S,3S,4S)-4-acetamido-3-phenyl-1-prop-2-enylpyrrolidine-2-carboxylate
CID 134021879
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl (2S,3S)-1-[(S)-tert-butylsulfinyl]-3-phenylaziridine-2-carboxylate
CID 53495328
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
ethyl (2R,3R)-1-(4-methoxyphenyl)-3-phenylaziridine-2-carboxylate
CID 11033818
ethyl 3-tert-butyl-1-[di(propan-2-yl)carbamoyl]-4-hydroxy-5-phenylpyrrolidine-2-carboxylate
CID 154016162
ethyl (4S,5R)-3-cyclooctyl-2-oxo-5-phenyl-1-propylimidazolidine-4-carboxylate
CID 122397231
4,5-diphenyl-1-prop-2-enylimidazolidin-2-one
CID 67652327
ethyl (2R,3R)-1-benzhydryl-3-(4-fluorophenyl)aziridine-2-carboxylate
CID 101477953
ethyl (2R,3R)-1-benzhydryl-3-(4-bromophenyl)aziridine-2-carboxylate
CID 11373951
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate?
The IUPAC name of ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate (CID 132536644) is ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate?
The canonical SMILES for ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate is C=CCN1C(=S)N(C(C)C)[C@H](C(=O)OCC)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate?
The InChIKey is NYLFZJKIDYRJHM-CVEARBPZSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-5-12-19-15(14-10-8-7-9-11-14)16(17(21)22-6-2)20(13(3)4)18(19)23/h5,7-11,13,15-16H,1,6,12H2,2-4H3/t15-,16+/m1/s1.
What are the key properties of ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate?
ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate has a molecular weight of 332.47 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-5-phenyl-3-propan-2-yl-1-prop-2-enyl-2-sulfanylideneimidazolidine-4-carboxylate is sourced from PubChem (CID 132536644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).