1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone

C14H14BrNO2S — CID 81209686

IUPAC1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCOC(CBr)C1
InChIInChI=1S/C14H14BrNO2S/c15-7-10-8-16(5-6-18-10)14(17)12-9-19-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2
InChIKeySAJIGUPJRVBVPT-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.14
Rot. Bonds2

About 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone

1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone (PubChem CID 81209686) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
PubChem CID81209686
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone
SMILESO=C(c1csc2ccccc12)N1CCOC(CBr)C1
InChIInChI=1S/C14H14BrNO2S/c15-7-10-8-16(5-6-18-10)14(17)12-9-19-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2
InChIKeySAJIGUPJRVBVPT-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(bromomethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81210238
1-benzothiophen-3-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80661319
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705
1-benzothiophen-3-yl-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937282
[2-(bromomethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443645
[2-(bromomethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81211794
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
[2-(bromomethyl)morpholin-4-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 81209568
[2-(bromomethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone
CID 81211544
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone (CID 81209686) is 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone is O=C(c1csc2ccccc12)N1CCOC(CBr)C1.
What is the InChIKey of 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone?
The InChIKey is SAJIGUPJRVBVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c15-7-10-8-16(5-6-18-10)14(17)12-9-19-13-4-2-1-3-11(12)13/h1-4,9-10H,5-8H2.
What are the key properties of 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone?
1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone has a molecular weight of 340.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[2-(bromomethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81209686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).