methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate

C24H21NO2S — CID 101102772

IUPACmethyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate
SMILESCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2)C2(S1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H21NO2S/c1-23(22(26)27-2)25-21(16-10-4-3-5-11-16)24(28-23)19-14-8-6-12-17(19)18-13-7-9-15-20(18)24/h3-15,21,25H,1-2H3/t21-,23-/m0/s1
InChIKeyTUNNSFXDNSYMKG-GMAHTHKFSA-N
MW387.50 g/mol
LogP4.88
Rot. Bonds2

About methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate

methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate (PubChem CID 101102772) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate
PubChem CID101102772
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC Namemethyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate
SMILESCOC(=O)[C@@]1(C)N[C@@H](c2ccccc2)C2(S1)c1ccccc1-c1ccccc12
InChIInChI=1S/C24H21NO2S/c1-23(22(26)27-2)25-21(16-10-4-3-5-11-16)24(28-23)19-14-8-6-12-17(19)18-13-7-9-15-20(18)24/h3-15,21,25H,1-2H3/t21-,23-/m0/s1
InChIKeyTUNNSFXDNSYMKG-GMAHTHKFSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
methyl 1,1-dimethyl-6-oxo-6aH-cyclopropa[a]indene-1a-carboxylate
CID 12046332
methyl 4-chloro-4-cyano-2-methyl-5-phenylpyrrolidine-2-carboxylate
CID 13480326
trimethyl (2S,5S)-5-methyl-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CID 16726888
methyl 9-(ethoxymethyl)fluorene-9-carboxylate
CID 90407926
trimethyl (3S,5S)-5-phenylpyrrolidine-2,2,3-tricarboxylate
CID 11674165
3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
CID 12707374
17-methoxycarbonylhexacyclo[14.2.1.114,17.01,14.02,7.08,13]icosa-2,4,6,8,10,12-hexaene-16-carboxylic acid
CID 11152606
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
methyl (2R,3aS,6aS)-2-phenyl-1,2,3,3a,4,6-hexahydrothieno[3,4-b]pyrrole-6a-carboxylate
CID 134925362
methyl (2R,4R,5S)-2-methyl-5-phenyl-4-propanoylpyrrolidine-2-carboxylate
CID 137333536
dimethyl 2,3-dimethyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 14062338

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate?
The IUPAC name of methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate (CID 101102772) is methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate is COC(=O)[C@@]1(C)N[C@@H](c2ccccc2)C2(S1)c1ccccc1-c1ccccc12.
What is the InChIKey of methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate?
The InChIKey is TUNNSFXDNSYMKG-GMAHTHKFSA-N. The full InChI is InChI=1S/C24H21NO2S/c1-23(22(26)27-2)25-21(16-10-4-3-5-11-16)24(28-23)19-14-8-6-12-17(19)18-13-7-9-15-20(18)24/h3-15,21,25H,1-2H3/t21-,23-/m0/s1.
What are the key properties of methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate?
methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate has a molecular weight of 387.50 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-2-methyl-4-phenylspiro[1,3-thiazolidine-5,9'-fluorene]-2-carboxylate is sourced from PubChem (CID 101102772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).