(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C12H16BrNO2S — CID 48688438

IUPAC(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)s2)CC(C)(C)O1
InChIInChI=1S/C12H16BrNO2S/c1-8-6-14(7-12(2,3)16-8)11(15)9-4-5-10(13)17-9/h4-5,8H,6-7H2,1-3H3
InChIKeyJTTOMNGROWMTTH-UHFFFAOYSA-N
MW318.24 g/mol
LogP3.15
Rot. Bonds1

About (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48688438) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48688438
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(Br)s2)CC(C)(C)O1
InChIInChI=1S/C12H16BrNO2S/c1-8-6-14(7-12(2,3)16-8)11(15)9-4-5-10(13)17-9/h4-5,8H,6-7H2,1-3H3
InChIKeyJTTOMNGROWMTTH-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48688438) is (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(Br)s2)CC(C)(C)O1.
What is the InChIKey of (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is JTTOMNGROWMTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-8-6-14(7-12(2,3)16-8)11(15)9-4-5-10(13)17-9/h4-5,8H,6-7H2,1-3H3.
What are the key properties of (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 318.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48688438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).