(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

C11H14BrNO2S — CID 43424620

IUPAC(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(Br)c2)C(C)CO1
InChIInChI=1S/C11H14BrNO2S/c1-7-5-15-8(2)4-13(7)11(14)9-3-10(12)16-6-9/h3,6-8H,4-5H2,1-2H3
InChIKeyRWUWRPQRSOZIRL-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.76
Rot. Bonds1

About (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone

(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 43424620) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID43424620
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2csc(Br)c2)C(C)CO1
InChIInChI=1S/C11H14BrNO2S/c1-7-5-15-8(2)4-13(7)11(14)9-3-10(12)16-6-9/h3,6-8H,4-5H2,1-2H3
InChIKeyRWUWRPQRSOZIRL-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 43424620) is (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2csc(Br)c2)C(C)CO1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is RWUWRPQRSOZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7-5-15-8(2)4-13(7)11(14)9-3-10(12)16-6-9/h3,6-8H,4-5H2,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone?
(5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 304.21 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 43424620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).