2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone

C12H17BrN2O2S — CID 114140427

IUPAC2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESO=C(CNCCc1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-10(18-11)3-4-14-9-12(16)15-5-7-17-8-6-15/h1-2,14H,3-9H2
InChIKeyQYKCSNMJOWZKMR-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone

2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone (PubChem CID 114140427) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone
PubChem CID114140427
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESO=C(CNCCc1ccc(Br)s1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O2S/c13-11-2-1-10(18-11)3-4-14-9-12(16)15-5-7-17-8-6-15/h1-2,14H,3-9H2
InChIKeyQYKCSNMJOWZKMR-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
2-[2-(5-bromothiophen-2-yl)ethylamino]-N-(cyclopropylmethyl)acetamide
CID 106047038
2-(benzylamino)-1-morpholin-4-ylethanone
CID 23252432
1-[2-[2-(5-chlorothiophen-2-yl)ethylamino]acetyl]piperidine-4-carboxylic acid
CID 106036897
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 115171594
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]oxetane-3-carboxylic acid
CID 115248512
3-[2-(5-bromothiophen-2-yl)ethylamino]-2-(methylamino)propanoic acid
CID 115256232
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703333
1-[2-(5-bromothiophen-2-yl)ethyl]-3-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]urea
CID 112820227
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
N-[2-[(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]acetamide
CID 43400877

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone (CID 114140427) is 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone is O=C(CNCCc1ccc(Br)s1)N1CCOCC1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone?
The InChIKey is QYKCSNMJOWZKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-2-1-10(18-11)3-4-14-9-12(16)15-5-7-17-8-6-15/h1-2,14H,3-9H2.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone?
2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone has a molecular weight of 333.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 114140427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).