2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole

C14H16N2O2S2 — CID 118740219

IUPAC2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,13-6-2-1-3-7-13)16-9-4-5-12(11-16)14-15-8-10-19-14/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyCOYKSCODIJRMQF-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole

2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole (PubChem CID 118740219) has the molecular formula C14H16N2O2S2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole
PubChem CID118740219
Molecular FormulaC14H16N2O2S2
Molecular Weight308.43 g/mol
Exact Mass308.07
IUPAC Name2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C14H16N2O2S2/c17-20(18,13-6-2-1-3-7-13)16-9-4-5-12(11-16)14-15-8-10-19-14/h1-3,6-8,10,12H,4-5,9,11H2
InChIKeyCOYKSCODIJRMQF-UHFFFAOYSA-N
XLogP2.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole (CID 118740219) is 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole is O=S(=O)(c1ccccc1)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole?
The InChIKey is COYKSCODIJRMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S2/c17-20(18,13-6-2-1-3-7-13)16-9-4-5-12(11-16)14-15-8-10-19-14/h1-3,6-8,10,12H,4-5,9,11H2.
What are the key properties of 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole?
2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole has a molecular weight of 308.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)piperidin-3-yl]-1,3-thiazole is sourced from PubChem (CID 118740219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).