5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

C14H18N2O3S2 — CID 53079470

IUPAC5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18N2O3S2/c1-10-4-7-16(8-5-10)21(17,18)14-9-13(20-11(14)2)12-3-6-15-19-12/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyYVUSOUQEUQCTDG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds3

About 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole

5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (PubChem CID 53079470) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
PubChem CID53079470
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole
SMILESCc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18N2O3S2/c1-10-4-7-16(8-5-10)21(17,18)14-9-13(20-11(14)2)12-3-6-15-19-12/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyYVUSOUQEUQCTDG-UHFFFAOYSA-N
XLogP3.13
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The IUPAC name of 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole (CID 53079470) is 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is Cc1sc(-c2ccno2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
The InChIKey is YVUSOUQEUQCTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-10-4-7-16(8-5-10)21(17,18)14-9-13(20-11(14)2)12-3-6-15-19-12/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole?
5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole has a molecular weight of 326.44 g/mol, XLogP of 3.13, 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-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2-oxazole is sourced from PubChem (CID 53079470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).