5-piperidin-1-ylsulfonyl-1,3-thiazole

C8H12N2O2S2 — CID 91052193

IUPAC5-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cncs1)N1CCCCC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-6-9-7-13-8)10-4-2-1-3-5-10/h6-7H,1-5H2
InChIKeyLGSUDBKZSGEPBY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.32
Rot. Bonds2

About 5-piperidin-1-ylsulfonyl-1,3-thiazole

5-piperidin-1-ylsulfonyl-1,3-thiazole (PubChem CID 91052193) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-1,3-thiazole
PubChem CID91052193
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name5-piperidin-1-ylsulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cncs1)N1CCCCC1
InChIInChI=1S/C8H12N2O2S2/c11-14(12,8-6-9-7-13-8)10-4-2-1-3-5-10/h6-7H,1-5H2
InChIKeyLGSUDBKZSGEPBY-UHFFFAOYSA-N
XLogP1.32
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-1,3-thiazole?
The IUPAC name of 5-piperidin-1-ylsulfonyl-1,3-thiazole (CID 91052193) is 5-piperidin-1-ylsulfonyl-1,3-thiazole.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-1,3-thiazole?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-1,3-thiazole is O=S(=O)(c1cncs1)N1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-1,3-thiazole?
The InChIKey is LGSUDBKZSGEPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c11-14(12,8-6-9-7-13-8)10-4-2-1-3-5-10/h6-7H,1-5H2.
What are the key properties of 5-piperidin-1-ylsulfonyl-1,3-thiazole?
5-piperidin-1-ylsulfonyl-1,3-thiazole has a molecular weight of 232.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-1,3-thiazole is sourced from PubChem (CID 91052193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).