1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone

C12H16O2S — CID 58514655

IUPAC1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
SMILESCc1ccc(C(=O)CC2CCOCC2)s1
InChIInChI=1S/C12H16O2S/c1-9-2-3-12(15-9)11(13)8-10-4-6-14-7-5-10/h2-3,10H,4-8H2,1H3
InChIKeyRRKLULQRXXFPFP-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.06
Rot. Bonds3

About 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone

1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone (PubChem CID 58514655) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
PubChem CID58514655
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone
SMILESCc1ccc(C(=O)CC2CCOCC2)s1
InChIInChI=1S/C12H16O2S/c1-9-2-3-12(15-9)11(13)8-10-4-6-14-7-5-10/h2-3,10H,4-8H2,1H3
InChIKeyRRKLULQRXXFPFP-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
2-[methyl(oxan-4-ylmethyl)amino]-1-(5-methylthiophen-2-yl)ethanone
CID 55226241
2-(azetidin-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 116582234
2-(1,1-dioxothiolan-3-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 105111563
2-(3-ethoxycyclobutyl)-1-(5-methylthiophen-2-yl)ethanone
CID 103162359
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
2-[1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989569
1-(2-methoxy-4-methylphenyl)-2-(oxan-4-yl)ethanone
CID 106790346
1-(5-methylfuran-3-yl)-2-(oxan-4-yl)ethanone
CID 114969173
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
CID 130943651

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone (CID 58514655) is 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone is Cc1ccc(C(=O)CC2CCOCC2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is RRKLULQRXXFPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-2-3-12(15-9)11(13)8-10-4-6-14-7-5-10/h2-3,10H,4-8H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone?
1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 224.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 58514655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).