2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole

C9H14N2O2S2 — CID 167862176

IUPAC2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
SMILESCS(=O)(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H14N2O2S2/c1-15(12,13)8-2-5-11(6-3-8)9-10-4-7-14-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyLFQNGESPBQVKBJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.16
Rot. Bonds2

About 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole

2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole (PubChem CID 167862176) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
PubChem CID167862176
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole
SMILESCS(=O)(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C9H14N2O2S2/c1-15(12,13)8-2-5-11(6-3-8)9-10-4-7-14-9/h4,7-8H,2-3,5-6H2,1H3
InChIKeyLFQNGESPBQVKBJ-UHFFFAOYSA-N
XLogP1.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propane-1-sulfonamide
CID 90597545
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-[4-(1-chloroethyl)piperidin-1-yl]-1,3-thiazole
CID 106838472
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butane-1-sulfonamide
CID 90597476
N-methylformamide;1-(1,3-thiazol-2-yl)piperidin-4-ol
CID 22243051
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
4-propan-2-yl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 90597507
4-methyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 60724620
4-fluoro-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzenesulfonamide
CID 71810066

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole (CID 167862176) is 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole is CS(=O)(=O)C1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is LFQNGESPBQVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-15(12,13)8-2-5-11(6-3-8)9-10-4-7-14-9/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole?
2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 246.36 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 167862176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).