2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole

C17H22N2O3S2 — CID 119037881

IUPAC2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole
SMILESCCOC1CCCN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C1
InChIInChI=1S/C17H22N2O3S2/c1-3-22-15-7-5-9-19(11-15)24(20,21)16-8-4-6-14(10-16)17-18-13(2)12-23-17/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3
InChIKeyRDLMSDKKOFEJIG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.31
Rot. Bonds5

About 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole

2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole (PubChem CID 119037881) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole
PubChem CID119037881
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC Name2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole
SMILESCCOC1CCCN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C1
InChIInChI=1S/C17H22N2O3S2/c1-3-22-15-7-5-9-19(11-15)24(20,21)16-8-4-6-14(10-16)17-18-13(2)12-23-17/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3
InChIKeyRDLMSDKKOFEJIG-UHFFFAOYSA-N
XLogP3.31
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
CID 163339942
ethyl 1-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 3761247
2-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1034342
2-[4-(3-ethoxypiperidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186274
5-(3-ethoxypiperidin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62153528
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonylpyridin-2-amine
CID 64600145
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
(3S)-1-[4-(2-bromoethoxy)phenyl]sulfonyl-3-ethoxypiperidine
CID 97339764
4-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-phenyl-1,3-thiazole
CID 7735634
1-(benzenesulfonyl)-3-(2-methoxyethoxy)piperidine
CID 42844226
3-(ethoxymethyl)-1-(3-methylphenyl)sulfonylpiperidine
CID 110418161
3-chloro-5-(3-ethoxypiperidin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 64600339

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole (CID 119037881) is 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole is CCOC1CCCN(S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)C1.
What is the InChIKey of 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole?
The InChIKey is RDLMSDKKOFEJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-3-22-15-7-5-9-19(11-15)24(20,21)16-8-4-6-14(10-16)17-18-13(2)12-23-17/h4,6,8,10,12,15H,3,5,7,9,11H2,1-2H3.
What are the key properties of 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole?
2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole has a molecular weight of 366.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxypiperidin-1-yl)sulfonylphenyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 119037881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).