5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

C13H16N2O3S2 — CID 53079539

IUPAC5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H16N2O3S2/c1-10-13(9-12(19-10)11-5-6-14-18-11)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJANOGBVRGROBOX-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.89
Rot. Bonds3

About 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole

5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (PubChem CID 53079539) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
PubChem CID53079539
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C13H16N2O3S2/c1-10-13(9-12(19-10)11-5-6-14-18-11)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJANOGBVRGROBOX-UHFFFAOYSA-N
XLogP2.89
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The IUPAC name of 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (CID 53079539) is 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The InChIKey is JANOGBVRGROBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-13(9-12(19-10)11-5-6-14-18-11)20(16,17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole has a molecular weight of 312.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-4-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 53079539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).