azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C130H163ClN12O18S6 — CID 157286636

IUPACazocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C22H27ClN2O3S.3C22H28N2O3S.2C21H26N2O3S/c1-3-8-18-11-4-5-14-25(18)22(26)20-13-7-10-17(24-20)15-29(27,28)21-16(2)9-6-12-19(21)23;1-16-8-5-9-17(2)20(16)28(26,27)14-18-10-6-11-19(23-18)21(25)24-13-7-12-22(3,4)15-24;1-17-10-8-11-18(2)21(17)28(26,27)16-19-12-9-13-20(23-19)22(25)24-14-6-4-3-5-7-15-24;1-4-19-12-5-6-14-24(19)22(25)20-13-8-11-18(23-20)15-28(26,27)21-16(2)9-7-10-17(21)3;1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-27(25,26)20-16(2)8-4-9-17(20)3;1-15-8-6-9-16(2)20(15)27(25,26)14-18-11-7-12-19(22-18)21(24)23-13-5-4-10-17(23)3/h6-7,9-10,12-13,18H,3-5,8,11,14-15H2,1-2H3;5-6,8-11H,7,12-15H2,1-4H3;8-13H,3-7,14-16H2,1-2H3;7-11,13,19H,4-6,12,14-15H2,1-3H3;4-5,8-11,15H,6-7,12-14H2,1-3H3;6-9,11-12,17H,4-5,10,13-14H2,1-3H3
InChIKeyBAHRXGKSBKWVJP-UHFFFAOYSA-N
MW2409.65 g/mol
LogP24.13
Rot. Bonds27

About azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 157286636) has the molecular formula C130H163ClN12O18S6 and a molecular weight of 2409.65 g/mol. Its IUPAC name is azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID157286636
Molecular FormulaC130H163ClN12O18S6
Molecular Weight2409.65 g/mol
Exact Mass2407.02
IUPAC Nameazocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1
InChIInChI=1S/C22H27ClN2O3S.3C22H28N2O3S.2C21H26N2O3S/c1-3-8-18-11-4-5-14-25(18)22(26)20-13-7-10-17(24-20)15-29(27,28)21-16(2)9-6-12-19(21)23;1-16-8-5-9-17(2)20(16)28(26,27)14-18-10-6-11-19(23-18)21(25)24-13-7-12-22(3,4)15-24;1-17-10-8-11-18(2)21(17)28(26,27)16-19-12-9-13-20(23-19)22(25)24-14-6-4-3-5-7-15-24;1-4-19-12-5-6-14-24(19)22(25)20-13-8-11-18(23-20)15-28(26,27)21-16(2)9-7-10-17(21)3;1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-27(25,26)20-16(2)8-4-9-17(20)3;1-15-8-6-9-16(2)20(15)27(25,26)14-18-11-7-12-19(22-18)21(24)23-13-5-4-10-17(23)3/h6-7,9-10,12-13,18H,3-5,8,11,14-15H2,1-2H3;5-6,8-11H,7,12-15H2,1-4H3;8-13H,3-7,14-16H2,1-2H3;7-11,13,19H,4-6,12,14-15H2,1-3H3;4-5,8-11,15H,6-7,12-14H2,1-3H3;6-9,11-12,17H,4-5,10,13-14H2,1-3H3
InChIKeyBAHRXGKSBKWVJP-UHFFFAOYSA-N
XLogP24.13
TPSA404.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.65
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 157286636) is azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2C)n1.CCCC1CCCCN1C(=O)c1cccc(CS(=O)(=O)c2c(C)cccc2Cl)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCC(C)C2)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCC2C)n1.Cc1cccc(C)c1S(=O)(=O)Cc1cccc(C(=O)N2CCCCCCC2)n1.
What is the InChIKey of azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is BAHRXGKSBKWVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S.3C22H28N2O3S.2C21H26N2O3S/c1-3-8-18-11-4-5-14-25(18)22(26)20-13-7-10-17(24-20)15-29(27,28)21-16(2)9-6-12-19(21)23;1-16-8-5-9-17(2)20(16)28(26,27)14-18-10-6-11-19(23-18)21(25)24-13-7-12-22(3,4)15-24;1-17-10-8-11-18(2)21(17)28(26,27)16-19-12-9-13-20(23-19)22(25)24-14-6-4-3-5-7-15-24;1-4-19-12-5-6-14-24(19)22(25)20-13-8-11-18(23-20)15-28(26,27)21-16(2)9-7-10-17(21)3;1-15-7-6-12-23(13-15)21(24)19-11-5-10-18(22-19)14-27(25,26)20-16(2)8-4-9-17(20)3;1-15-8-6-9-16(2)20(15)27(25,26)14-18-11-7-12-19(22-18)21(24)23-13-5-4-10-17(23)3/h6-7,9-10,12-13,18H,3-5,8,11,14-15H2,1-2H3;5-6,8-11H,7,12-15H2,1-4H3;8-13H,3-7,14-16H2,1-2H3;7-11,13,19H,4-6,12,14-15H2,1-3H3;4-5,8-11,15H,6-7,12-14H2,1-3H3;6-9,11-12,17H,4-5,10,13-14H2,1-3H3.
What are the key properties of azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 2409.65 g/mol, XLogP of 24.13, 27 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanone;[6-[(2-chloro-6-methylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-propylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3,3-dimethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(2-methylpiperidin-1-yl)methanone;[6-[(2,6-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 157286636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).