6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one

C16H19NO5S2 — CID 90629222

IUPAC6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc(=O)o1
InChIInChI=1S/C16H19NO5S2/c1-11-9-14(10-15(18)21-11)22-13-5-7-17(8-6-13)24(19,20)16-4-3-12(2)23-16/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyZHSGSENMVLMWGH-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.55
Rot. Bonds4

About 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one

6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one (PubChem CID 90629222) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one.

Molecular Properties

Compound Name6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
PubChem CID90629222
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC Name6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
SMILESCc1cc(OC2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc(=O)o1
InChIInChI=1S/C16H19NO5S2/c1-11-9-14(10-15(18)21-11)22-13-5-7-17(8-6-13)24(19,20)16-4-3-12(2)23-16/h3-4,9-10,13H,5-8H2,1-2H3
InChIKeyZHSGSENMVLMWGH-UHFFFAOYSA-N
XLogP2.55
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one?
The IUPAC name of 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one (CID 90629222) is 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one.
What is the SMILES notation for 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one?
The canonical SMILES for 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one is Cc1cc(OC2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc(=O)o1.
What is the InChIKey of 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one?
The InChIKey is ZHSGSENMVLMWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-11-9-14(10-15(18)21-11)22-13-5-7-17(8-6-13)24(19,20)16-4-3-12(2)23-16/h3-4,9-10,13H,5-8H2,1-2H3.
What are the key properties of 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one?
6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one has a molecular weight of 369.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one is sourced from PubChem (CID 90629222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).