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

C13H16N2O3S2 — CID 51053850

IUPAC3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
SMILESCc1cc(-c2csc(S(=O)(=O)N3CCCCC3)c2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-7-12(18-14-10)11-8-13(19-9-11)20(16,17)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3
InChIKeyXDUNGAMPLOGINY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.89
Rot. Bonds3

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

3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole (PubChem CID 51053850) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
PubChem CID51053850
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC Name3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
SMILESCc1cc(-c2csc(S(=O)(=O)N3CCCCC3)c2)on1
InChIInChI=1S/C13H16N2O3S2/c1-10-7-12(18-14-10)11-8-13(19-9-11)20(16,17)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3
InChIKeyXDUNGAMPLOGINY-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

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Related Compounds

5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
5-[4-(azepan-1-ylsulfonyl)-3-methylphenyl]-3-methyl-1,2-oxazole
CID 53094978
N-cyclooctyl-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393013
1-(4-methylthiophen-2-yl)sulfonyl-4-pyrrolidin-1-ylsulfonylpiperazine
CID 131896497
3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 53126884
N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042931
6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 50835026
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
pyrrolidin-1-yl-[5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 53011795
[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152
(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole (CID 51053850) is 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole is Cc1cc(-c2csc(S(=O)(=O)N3CCCCC3)c2)on1.
What is the InChIKey of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
The InChIKey is XDUNGAMPLOGINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-10-7-12(18-14-10)11-8-13(19-9-11)20(16,17)15-5-3-2-4-6-15/h7-9H,2-6H2,1H3.
What are the key properties of 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole?
3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-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 3-methyl-5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole is sourced from PubChem (CID 51053850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).