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

C11H14BrNO2S — CID 35024932

IUPAC(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(Br)c2)CCO1
InChIInChI=1S/C11H14BrNO2S/c1-11(2)7-13(3-4-15-11)10(14)8-5-9(12)16-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyPQKITEUNKMULLJ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.76
Rot. Bonds1

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

(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 35024932) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID35024932
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2csc(Br)c2)CCO1
InChIInChI=1S/C11H14BrNO2S/c1-11(2)7-13(3-4-15-11)10(14)8-5-9(12)16-6-8/h5-6H,3-4,7H2,1-2H3
InChIKeyPQKITEUNKMULLJ-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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Related Compounds

(5-bromothiophen-3-yl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130914668
(5-bromothiophen-3-yl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 103722220
(3,5-diaminophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 61093702
(3-bromo-4-chlorophenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 113329851
(2,2-dimethylmorpholin-4-yl)-[5-(4-hydroxybut-1-ynyl)thiophen-3-yl]methanone
CID 79696817
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
1-(5-bromothiophene-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55178525
(2,2-dimethylmorpholin-4-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 113357496
(4-amino-3-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 107074174
(5-bromo-2-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 65307467
(2,2-dimethylmorpholin-4-yl)-(2-fluoro-4-pyridinyl)methanone
CID 61294351
(5-bromo-2-hydroxyphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 86981386

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone (CID 35024932) is (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2csc(Br)c2)CCO1.
What is the InChIKey of (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is PQKITEUNKMULLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-11(2)7-13(3-4-15-11)10(14)8-5-9(12)16-6-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of (5-bromothiophen-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone?
(5-bromothiophen-3-yl)-(2,2-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)-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 35024932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).