4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile

C11H11BrN2O2S — CID 79965069

IUPAC4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESCc1cc(C(=O)N2CCOC(C#N)C2)sc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-7-4-9(17-10(7)12)11(15)14-2-3-16-8(5-13)6-14/h4,8H,2-3,6H2,1H3
InChIKeyIGAGJBKKBQKFLU-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.18
Rot. Bonds1

About 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile

4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile (PubChem CID 79965069) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
PubChem CID79965069
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile
SMILESCc1cc(C(=O)N2CCOC(C#N)C2)sc1Br
InChIInChI=1S/C11H11BrN2O2S/c1-7-4-9(17-10(7)12)11(15)14-2-3-16-8(5-13)6-14/h4,8H,2-3,6H2,1H3
InChIKeyIGAGJBKKBQKFLU-UHFFFAOYSA-N
XLogP2.18
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 78945682
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102
1-[4-(5-bromo-4-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 79954864
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile (CID 79965069) is 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile is Cc1cc(C(=O)N2CCOC(C#N)C2)sc1Br.
What is the InChIKey of 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile?
The InChIKey is IGAGJBKKBQKFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c1-7-4-9(17-10(7)12)11(15)14-2-3-16-8(5-13)6-14/h4,8H,2-3,6H2,1H3.
What are the key properties of 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile?
4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile has a molecular weight of 315.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methylthiophene-2-carbonyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79965069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).