8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C96H102F6N16O14S4 — CID 157315600

About 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 157315600) has the molecular formula C96H102F6N16O14S4 and a molecular weight of 1946.23 g/mol. Its IUPAC name is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 157315600
• Molecular Formula: C96H102F6N16O14S4
• Molecular Weight: 1946.23 g/mol
• Exact Mass: 1944.65
• IUPAC Name: 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1ccc(C(F)(F)F)nc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1ccc(C(F)(F)F)nc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2=O
• InChI: InChI=1S/2C24H25F3N4O3.2C24H26N4O4S2/c2*1-15(18-4-3-17-6-11-34-19(17)12-18)30-9-7-23(8-10-30)21(32)31(22(33)29-23)14-16-2-5-20(28-13-16)24(25,26)27;2*1-16(18-5-8-21-20(13-18)25-15-33-21)27-11-9-24(10-12-27)22(29)28(23(30)26-24)14-17-3-6-19(7-4-17)34(2,31)32/h2*2-5,12-13,15H,6-11,14H2,1H3,(H,29,33);2*3-8,13,15-16H,9-12,14H2,1-2H3,(H,26,30)/t2*15-;2*16-/m1010/s1
• InChIKey: BDOAKOAJXRRDOD-VUUOHXQHSA-N
• XLogP: 14.06
• TPSA: 348.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1946.23
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 157315600) is 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is C[C@@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1ccc(C(F)(F)F)nc1)C2=O.C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2=O.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)NC(=O)N(Cc1ccc(C(F)(F)F)nc1)C2=O.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)NC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2=O.

What is the InChIKey of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is BDOAKOAJXRRDOD-VUUOHXQHSA-N. The full InChI is InChI=1S/2C24H25F3N4O3.2C24H26N4O4S2/c2*1-15(18-4-3-17-6-11-34-19(17)12-18)30-9-7-23(8-10-30)21(32)31(22(33)29-23)14-16-2-5-20(28-13-16)24(25,26)27;2*1-16(18-5-8-21-20(13-18)25-15-33-21)27-11-9-24(10-12-27)22(29)28(23(30)26-24)14-17-3-6-19(7-4-17)34(2,31)32/h2*2-5,12-13,15H,6-11,14H2,1H3,(H,29,33);2*3-8,13,15-16H,9-12,14H2,1-2H3,(H,26,30)/t2*15-;2*16-/m1010/s1.

What are the key properties of 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 1946.23 g/mol, XLogP of 14.06, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-[(4-methylsulfonylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 157315600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).