2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

C21H29N3O3S2 — CID 86264487

IUPAC2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1C
InChIInChI=1S/C21H29N3O3S2/c1-16-3-4-20(15-17(16)2)29(25,26)24-12-5-18(6-13-24)23-10-7-19(8-11-23)27-21-22-9-14-28-21/h3-4,9,14-15,18-19H,5-8,10-13H2,1-2H3
InChIKeyLBRHMYMDTUJVKO-UHFFFAOYSA-N
MW435.62 g/mol
LogP3.46
Rot. Bonds5

About 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole

2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (PubChem CID 86264487) has the molecular formula C21H29N3O3S2 and a molecular weight of 435.62 g/mol. Its IUPAC name is 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
PubChem CID86264487
Molecular FormulaC21H29N3O3S2
Molecular Weight435.62 g/mol
Exact Mass435.17
IUPAC Name2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1C
InChIInChI=1S/C21H29N3O3S2/c1-16-3-4-20(15-17(16)2)29(25,26)24-12-5-18(6-13-24)23-10-7-19(8-11-23)27-21-22-9-14-28-21/h3-4,9,14-15,18-19H,5-8,10-13H2,1-2H3
InChIKeyLBRHMYMDTUJVKO-UHFFFAOYSA-N
XLogP3.46
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.62
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
2-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617985
2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
2-[1-(1-methylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617931
2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(1-propan-2-ylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90617934
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-(1-propylsulfonylpiperidin-4-yl)piperidin-4-yl]oxy-1,3-thiazole
CID 90618011
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
2-[1-[1-(2-phenylethylsulfonyl)piperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617948
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole (CID 86264487) is 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is Cc1ccc(S(=O)(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1C.
What is the InChIKey of 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
The InChIKey is LBRHMYMDTUJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S2/c1-16-3-4-20(15-17(16)2)29(25,26)24-12-5-18(6-13-24)23-10-7-19(8-11-23)27-21-22-9-14-28-21/h3-4,9,14-15,18-19H,5-8,10-13H2,1-2H3.
What are the key properties of 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole?
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole has a molecular weight of 435.62 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole is sourced from PubChem (CID 86264487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).