5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole

C12H14N2O3S2 — CID 51048399

IUPAC5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
SMILESO=S(=O)(c1cc(-c2ccno2)cs1)N1CCCCC1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-6-2-1-3-7-14)12-8-10(9-18-12)11-4-5-13-17-11/h4-5,8-9H,1-3,6-7H2
InChIKeyPLVYRZPODUKSPJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds3

About 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole

5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole (PubChem CID 51048399) has the molecular formula C12H14N2O3S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
PubChem CID51048399
Molecular FormulaC12H14N2O3S2
Molecular Weight298.39 g/mol
Exact Mass298.04
IUPAC Name5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
SMILESO=S(=O)(c1cc(-c2ccno2)cs1)N1CCCCC1
InChIInChI=1S/C12H14N2O3S2/c15-19(16,14-6-2-1-3-7-14)12-8-10(9-18-12)11-4-5-13-17-11/h4-5,8-9H,1-3,6-7H2
InChIKeyPLVYRZPODUKSPJ-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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Related Compounds

3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51053850
5-[5-[2-(3-methoxypropyl)piperidin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 70729430
3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 53126884
5-[(2S)-1-[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131904930
4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 46393001
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 53011795
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
1-thiophen-2-ylsulfonylpiperidine
CID 765823
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
1-[4-(2-methylpyrazol-3-yl)thiophen-2-yl]sulfonyl-4-phenylpiperazine
CID 53130925
1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine
CID 131896497

Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The IUPAC name of 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole (CID 51048399) is 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole is O=S(=O)(c1cc(-c2ccno2)cs1)N1CCCCC1.
What is the InChIKey of 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The InChIKey is PLVYRZPODUKSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S2/c15-19(16,14-6-2-1-3-7-14)12-8-10(9-18-12)11-4-5-13-17-11/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
5-(5-piperidin-1-ylsulfonylthiophen-3-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-3-yl)-1,2-oxazole is sourced from PubChem (CID 51048399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).