[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C117H133Cl6N13O6S6 — CID 159073866

IUPAC[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccc(CSc2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2C(C)CCCC2C)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/2C21H25ClN2OS.C19H22ClN3OS.2C19H21ClN2OS.C18H19ClN2OS/c1-14-7-4-11-18(22)20(14)26-13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-26-20-15(2)8-6-11-18(20)22;1-14-5-3-7-16(20)18(14)25-13-15-6-4-8-17(21-15)19(24)23-11-9-22(2)10-12-23;2*1-14-7-5-9-16(20)18(14)24-13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22;1-13-6-4-8-15(19)17(13)23-12-14-7-5-9-16(20-14)18(22)21-10-2-3-11-21/h4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-8H,9-13H2,1-2H3;2*5-10H,2-4,11-13H2,1H3;4-9H,2-3,10-12H2,1H3
InChIKeyJZZUBNDZAPWQID-UHFFFAOYSA-N
MW2222.56 g/mol
LogP29.70
Rot. Bonds25

About [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 159073866) has the molecular formula C117H133Cl6N13O6S6 and a molecular weight of 2222.56 g/mol. Its IUPAC name is [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID159073866
Molecular FormulaC117H133Cl6N13O6S6
Molecular Weight2222.56 g/mol
Exact Mass2217.70
IUPAC Name[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CCCCN1C(=O)c1cccc(CSc2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2C(C)CCCC2C)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCN(C)CC2)n1
InChIInChI=1S/2C21H25ClN2OS.C19H22ClN3OS.2C19H21ClN2OS.C18H19ClN2OS/c1-14-7-4-11-18(22)20(14)26-13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-26-20-15(2)8-6-11-18(20)22;1-14-5-3-7-16(20)18(14)25-13-15-6-4-8-17(21-15)19(24)23-11-9-22(2)10-12-23;2*1-14-7-5-9-16(20)18(14)24-13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22;1-13-6-4-8-15(19)17(13)23-12-14-7-5-9-16(20-14)18(22)21-10-2-3-11-21/h4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-8H,9-13H2,1-2H3;2*5-10H,2-4,11-13H2,1H3;4-9H,2-3,10-12H2,1H3
InChIKeyJZZUBNDZAPWQID-UHFFFAOYSA-N
XLogP29.70
TPSA202.44 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002222.56
LogP ≤ 529.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 159073866) is [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is CCC1CCCCN1C(=O)c1cccc(CSc2c(C)cccc2Cl)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2C(C)CCCC2C)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCCCC2)n1.Cc1cccc(Cl)c1SCc1cccc(C(=O)N2CCN(C)CC2)n1.
What is the InChIKey of [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is JZZUBNDZAPWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H25ClN2OS.C19H22ClN3OS.2C19H21ClN2OS.C18H19ClN2OS/c1-14-7-4-11-18(22)20(14)26-13-17-10-6-12-19(23-17)21(25)24-15(2)8-5-9-16(24)3;1-3-17-10-4-5-13-24(17)21(25)19-12-7-9-16(23-19)14-26-20-15(2)8-6-11-18(20)22;1-14-5-3-7-16(20)18(14)25-13-15-6-4-8-17(21-15)19(24)23-11-9-22(2)10-12-23;2*1-14-7-5-9-16(20)18(14)24-13-15-8-6-10-17(21-15)19(23)22-11-3-2-4-12-22;1-13-6-4-8-15(19)17(13)23-12-14-7-5-9-16(20-14)18(22)21-10-2-3-11-21/h4,6-7,10-12,15-16H,5,8-9,13H2,1-3H3;6-9,11-12,17H,3-5,10,13-14H2,1-2H3;3-8H,9-13H2,1-2H3;2*5-10H,2-4,11-13H2,1H3;4-9H,2-3,10-12H2,1H3.
What are the key properties of [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 2222.56 g/mol, XLogP of 29.70, 25 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2,6-dimethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone;[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;bis([6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-piperidin-1-ylmethanone);[6-[(2-chloro-6-methylphenyl)sulfanylmethyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 159073866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).