2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole

C16H20N2O4S2 — CID 110289836

IUPAC2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nccs3)CC2)cc1OC
InChIInChI=1S/C16H20N2O4S2/c1-21-14-4-3-13(11-15(14)22-2)24(19,20)18-8-5-12(6-9-18)16-17-7-10-23-16/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyXSIAVCDXVIJIJV-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds5

About 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole

2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole (PubChem CID 110289836) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
PubChem CID110289836
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3nccs3)CC2)cc1OC
InChIInChI=1S/C16H20N2O4S2/c1-21-14-4-3-13(11-15(14)22-2)24(19,20)18-8-5-12(6-9-18)16-17-7-10-23-16/h3-4,7,10-12H,5-6,8-9H2,1-2H3
InChIKeyXSIAVCDXVIJIJV-UHFFFAOYSA-N
XLogP2.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
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
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]sulfonylbenzoic acid
CID 110628834
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylpropyl)piperidine
CID 171593389
3,4-dimethoxy-N-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56532927
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylpiperazin-4-ium
CID 6952496
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584724

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole (CID 110289836) is 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole is COc1ccc(S(=O)(=O)N2CCC(c3nccs3)CC2)cc1OC.
What is the InChIKey of 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
The InChIKey is XSIAVCDXVIJIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-21-14-4-3-13(11-15(14)22-2)24(19,20)18-8-5-12(6-9-18)16-17-7-10-23-16/h3-4,7,10-12H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole?
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 110289836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).