8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C126H148N18O14S5 — CID 160520737

IUPAC8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.Cc1cc(N2CC3(CCN([C@@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1.Cc1cc(N2CC3(CCN([C@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1
InChIInChI=1S/C26H32N2O4S.2C25H29N5O2.2C25H29N3O3S2/c1-19(22-6-5-21-9-14-32-24(21)15-22)27-12-10-26(11-13-27)16-25(29)28(18-26)17-20-3-7-23(8-4-20)33(2,30)31;2*1-17-13-23(30-22(27-17)5-9-26-30)29-16-25(15-24(29)31)7-10-28(11-8-25)18(2)20-4-3-19-6-12-32-21(19)14-20;2*1-18(20-5-8-23-22(13-20)26-17-32-23)27-11-9-25(10-12-27)14-24(29)28(16-25)15-19-3-6-21(7-4-19)33(2,30)31/h3-8,15,19H,9-14,16-18H2,1-2H3;2*3-5,9,13-14,18H,6-8,10-12,15-16H2,1-2H3;2*3-8,13,17-18H,9-12,14-16H2,1-2H3/t19-;4*18-/m11010/s1
InChIKeyQUFUSYOZOOOVOB-MLXTWJQCSA-N
MW2299.02 g/mol
LogP19.26
Rot. Bonds21

About 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 160520737) has the molecular formula C126H148N18O14S5 and a molecular weight of 2299.02 g/mol. Its IUPAC name is 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID160520737
Molecular FormulaC126H148N18O14S5
Molecular Weight2299.02 g/mol
Exact Mass2297.00
IUPAC Name8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.Cc1cc(N2CC3(CCN([C@@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1.Cc1cc(N2CC3(CCN([C@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1
InChIInChI=1S/C26H32N2O4S.2C25H29N5O2.2C25H29N3O3S2/c1-19(22-6-5-21-9-14-32-24(21)15-22)27-12-10-26(11-13-27)16-25(29)28(18-26)17-20-3-7-23(8-4-20)33(2,30)31;2*1-17-13-23(30-22(27-17)5-9-26-30)29-16-25(15-24(29)31)7-10-28(11-8-25)18(2)20-4-3-19-6-12-32-21(19)14-20;2*1-18(20-5-8-23-22(13-20)26-17-32-23)27-11-9-25(10-12-27)14-24(29)28(16-25)15-19-3-6-21(7-4-19)33(2,30)31/h3-8,15,19H,9-14,16-18H2,1-2H3;2*3-5,9,13-14,18H,6-8,10-12,15-16H2,1-2H3;2*3-8,13,17-18H,9-12,14-16H2,1-2H3/t19-;4*18-/m11010/s1
InChIKeyQUFUSYOZOOOVOB-MLXTWJQCSA-N
XLogP19.26
TPSA334.02 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002299.02
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 160520737) is 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is C[C@@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2c(c1)OCC2)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.C[C@H](c1ccc2scnc2c1)N1CCC2(CC1)CC(=O)N(Cc1ccc(S(C)(=O)=O)cc1)C2.Cc1cc(N2CC3(CCN([C@@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1.Cc1cc(N2CC3(CCN([C@H](C)c4ccc5c(c4)OCC5)CC3)CC2=O)n2nccc2n1.
What is the InChIKey of 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QUFUSYOZOOOVOB-MLXTWJQCSA-N. The full InChI is InChI=1S/C26H32N2O4S.2C25H29N5O2.2C25H29N3O3S2/c1-19(22-6-5-21-9-14-32-24(21)15-22)27-12-10-26(11-13-27)16-25(29)28(18-26)17-20-3-7-23(8-4-20)33(2,30)31;2*1-17-13-23(30-22(27-17)5-9-26-30)29-16-25(15-24(29)31)7-10-28(11-8-25)18(2)20-4-3-19-6-12-32-21(19)14-20;2*1-18(20-5-8-23-22(13-20)26-17-32-23)27-11-9-25(10-12-27)14-24(29)28(16-25)15-19-3-6-21(7-4-19)33(2,30)31/h3-8,15,19H,9-14,16-18H2,1-2H3;2*3-5,9,13-14,18H,6-8,10-12,15-16H2,1-2H3;2*3-8,13,17-18H,9-12,14-16H2,1-2H3/t19-;4*18-/m11010/s1.
What are the key properties of 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 2299.02 g/mol, XLogP of 19.26, 21 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;8-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)-2,8-diazaspiro[4.5]decan-3-one;8-[(1R)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-[(4-methylsulfonylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 160520737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).