[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C125H135ClF4N10O13S5 — CID 158437049

About [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 158437049) has the molecular formula C125H135ClF4N10O13S5 and a molecular weight of 2257.29 g/mol. Its IUPAC name is [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

• Compound Name: [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
• PubChem CID: 158437049
• Molecular Formula: C125H135ClF4N10O13S5
• Molecular Weight: 2257.29 g/mol
• Exact Mass: 2254.84
• IUPAC Name: [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
• SMILES: C=S(=O)(Cc1cccc(C(=O)N2CCCCC2c2ccccc2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)n1)c1cccc2ccccc12.CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1.CC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)CC1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1
• InChI: InChI=1S/C29H28N2O2S.C25H28N2O2S.C24H29ClN2O3S.C24H27F3N2O3S.C23H23FN2O3S/c1-34(33,28-19-9-14-22-11-5-6-16-25(22)28)21-24-15-10-17-26(30-24)29(32)31-20-8-7-18-27(31)23-12-3-2-4-13-23;1-18-9-6-10-19(2)27(18)25(28)23-15-8-13-21(26-23)17-30(3,29)24-16-7-12-20-11-4-5-14-22(20)24;1-16-7-5-9-19(25)21(16)31(29,30)13-17-8-6-10-20(26-17)22(28)27-15-24(4)12-18(27)11-23(2,3)14-24;1-22(2)11-18-12-23(3,14-22)15-29(18)21(30)20-9-5-7-17(28-20)13-33(31,32)19-8-4-6-16(10-19)24(25,26)27;1-23(24)12-14-26(15-13-23)22(27)20-10-5-8-18(25-20)16-30(28,29)21-11-4-7-17-6-2-3-9-19(17)21/h2-6,9-17,19,27H,1,7-8,18,20-21H2;4-5,7-8,11-16,18-19H,3,6,9-10,17H2,1-2H3;5-10,18H,11-15H2,1-4H3;4-10,18H,11-15H2,1-3H3;2-11H,12-16H2,1H3/t;18-,19+,30?;18-,24-;18-,23-;/m..11./s1
• InChIKey: HCIXZSNFRXHUBC-YHHYCWLTSA-N
• XLogP: 25.14
• TPSA: 302.56 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.29
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?

The IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 158437049) is [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

What is the SMILES notation for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?

The canonical SMILES for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is C=S(=O)(Cc1cccc(C(=O)N2CCCCC2c2ccccc2)n1)c1cccc2ccccc12.C=S(=O)(Cc1cccc(C(=O)N2[C@H](C)CCC[C@@H]2C)n1)c1cccc2ccccc12.CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cccc(CS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)C1.CC1(F)CCN(C(=O)c2cccc(CS(=O)(=O)c3cccc4ccccc34)n2)CC1.Cc1cccc(Cl)c1S(=O)(=O)Cc1cccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1.

What is the InChIKey of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?

The InChIKey is HCIXZSNFRXHUBC-YHHYCWLTSA-N. The full InChI is InChI=1S/C29H28N2O2S.C25H28N2O2S.C24H29ClN2O3S.C24H27F3N2O3S.C23H23FN2O3S/c1-34(33,28-19-9-14-22-11-5-6-16-25(22)28)21-24-15-10-17-26(30-24)29(32)31-20-8-7-18-27(31)23-12-3-2-4-13-23;1-18-9-6-10-19(2)27(18)25(28)23-15-8-13-21(26-23)17-30(3,29)24-16-7-12-20-11-4-5-14-22(20)24;1-16-7-5-9-19(25)21(16)31(29,30)13-17-8-6-10-20(26-17)22(28)27-15-24(4)12-18(27)11-23(2,3)14-24;1-22(2)11-18-12-23(3,14-22)15-29(18)21(30)20-9-5-7-17(28-20)13-33(31,32)19-8-4-6-16(10-19)24(25,26)27;1-23(24)12-14-26(15-13-23)22(27)20-10-5-8-18(25-20)16-30(28,29)21-11-4-7-17-6-2-3-9-19(17)21/h2-6,9-17,19,27H,1,7-8,18,20-21H2;4-5,7-8,11-16,18-19H,3,6,9-10,17H2,1-2H3;5-10,18H,11-15H2,1-4H3;4-10,18H,11-15H2,1-3H3;2-11H,12-16H2,1H3/t;18-,19+,30?;18-,24-;18-,23-;/m..11./s1.

What are the key properties of [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?

[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 2257.29 g/mol, XLogP of 25.14, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone;[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[6-(naphthalen-1-ylsulfonylmethyl)-2-pyridinyl]methanone;[6-[(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)methyl]-2-pyridinyl]-(2-phenylpiperidin-1-yl)methanone;[6-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]-2-pyridinyl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 158437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).