ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate

C17H23NO2S2 — CID 71614429

IUPACethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1[C@@H](C)CC2(C[C@H]1c1ccccc1)SCCS2
InChIInChI=1S/C17H23NO2S2/c1-3-20-16(19)18-13(2)11-17(21-9-10-22-17)12-15(18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyGFBRWNJLJLIZEG-ZFWWWQNUSA-N
MW337.51 g/mol
LogP4.54
Rot. Bonds2

About ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate

ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 71614429) has the molecular formula C17H23NO2S2 and a molecular weight of 337.51 g/mol. Its IUPAC name is ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nameethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID71614429
Molecular FormulaC17H23NO2S2
Molecular Weight337.51 g/mol
Exact Mass337.12
IUPAC Nameethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate
SMILESCCOC(=O)N1[C@@H](C)CC2(C[C@H]1c1ccccc1)SCCS2
InChIInChI=1S/C17H23NO2S2/c1-3-20-16(19)18-13(2)11-17(21-9-10-22-17)12-15(18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyGFBRWNJLJLIZEG-ZFWWWQNUSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-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 (7R,9R)-7,9-diphenyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 71613650
ethyl (2R,4R)-2-[(1R)-1-hydroxy-2-methylpropyl]-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 11077224
ethyl (2S,3R,5R,6R)-3,5-dimethyl-4-oxo-2,6-diphenylpiperidine-1-carboxylate
CID 102317060
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
ethyl 5,5-dimethyl-2-phenylpiperazine-1-carboxylate
CID 82246388
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
ethyl 2-phenylthiomorpholine-4-carboxylate
CID 15665878
tert-butyl 2-methyl-7-phenyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 101399997
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
diethyl (3R)-3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
CID 2755637

Frequently Asked Questions

What is the IUPAC name of ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate (CID 71614429) is ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate is CCOC(=O)N1[C@@H](C)CC2(C[C@H]1c1ccccc1)SCCS2.
What is the InChIKey of ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is GFBRWNJLJLIZEG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H23NO2S2/c1-3-20-16(19)18-13(2)11-17(21-9-10-22-17)12-15(18)14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate?
ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 337.51 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7S,9S)-9-methyl-7-phenyl-1,4-dithia-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 71614429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).