(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C14H20BrNO2S — CID 102743989

IUPAC(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)sc1Br
InChIInChI=1S/C14H20BrNO2S/c1-9-6-10(19-11(9)15)12(17)16-7-13(2,3)18-14(4,5)8-16/h6H,7-8H2,1-5H3
InChIKeyFRVBVIFMOMEUAL-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.85
Rot. Bonds1

About (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102743989) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102743989
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC Name(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)sc1Br
InChIInChI=1S/C14H20BrNO2S/c1-9-6-10(19-11(9)15)12(17)16-7-13(2,3)18-14(4,5)8-16/h6H,7-8H2,1-5H3
InChIKeyFRVBVIFMOMEUAL-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102743989) is (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is Cc1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)sc1Br.
What is the InChIKey of (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is FRVBVIFMOMEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-9-6-10(19-11(9)15)12(17)16-7-13(2,3)18-14(4,5)8-16/h6H,7-8H2,1-5H3.
What are the key properties of (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 346.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-methylthiophen-2-yl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102743989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).