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

C12H14N2O3S2 — CID 1471911

IUPAC5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCCCC1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-8-2-1-3-9-14)12-5-4-11(18-12)10-6-7-13-17-10/h4-7H,1-3,8-9H2
InChIKeyPKQJYWSBBQWDEW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds3

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

5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (PubChem CID 1471911) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
PubChem CID1471911
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole
SMILESO=S(=O)(c1ccc(-c2ccno2)s1)N1CCCCC1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-8-2-1-3-9-14)12-5-4-11(18-12)10-6-7-13-17-10/h4-7H,1-3,8-9H2
InChIKeyPKQJYWSBBQWDEW-UHFFFAOYSA-N
XLogP2.58
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole (CID 1471911) is 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is O=S(=O)(c1ccc(-c2ccno2)s1)N1CCCCC1.
What is the InChIKey of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
The InChIKey is PKQJYWSBBQWDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-19(16,14-8-2-1-3-9-14)12-5-4-11(18-12)10-6-7-13-17-10/h4-7H,1-3,8-9H2.
What are the key properties of 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole?
5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole has a molecular weight of 298.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-1-ylsulfonylthiophen-2-yl)-1,2-oxazole is sourced from PubChem (CID 1471911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).