[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate

C28H32N2O3S2 — CID 71524382

About [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate (PubChem CID 71524382) has the molecular formula C28H32N2O3S2 and a molecular weight of 508.71 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate.

Molecular Properties

• Compound Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate
• PubChem CID: 71524382
• Molecular Formula: C28H32N2O3S2
• Molecular Weight: 508.71 g/mol
• Exact Mass: 508.19
• IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate
• SMILES: CSC1=NC[C@@]2(S1)C(=O)N(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1)c1ccccc12
• InChI: InChI=1S/C28H32N2O3S2/c1-18-14-15-21(27(2,3)19-10-6-5-7-11-19)23(16-18)33-26(32)30-22-13-9-8-12-20(22)28(24(30)31)17-29-25(34-4)35-28/h5-13,18,21,23H,14-17H2,1-4H3/t18-,21-,23-,28+/m1/s1
• InChIKey: GGMBZAOUFFKPBC-DIYCDFRDSA-N
• XLogP: 6.61
• TPSA: 58.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.71
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate?

The IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate (CID 71524382) is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate.

What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate?

The canonical SMILES for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate is CSC1=NC[C@@]2(S1)C(=O)N(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1)c1ccccc12.

What is the InChIKey of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate?

The InChIKey is GGMBZAOUFFKPBC-DIYCDFRDSA-N. The full InChI is InChI=1S/C28H32N2O3S2/c1-18-14-15-21(27(2,3)19-10-6-5-7-11-19)23(16-18)33-26(32)30-22-13-9-8-12-20(22)28(24(30)31)17-29-25(34-4)35-28/h5-13,18,21,23H,14-17H2,1-4H3/t18-,21-,23-,28+/m1/s1.

What are the key properties of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate?

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate has a molecular weight of 508.71 g/mol, XLogP of 6.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (5R)-2-methylsulfanyl-2'-oxospiro[4H-1,3-thiazole-5,3'-indole]-1'-carboxylate is sourced from PubChem (CID 71524382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).