2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

C13H19BrN2O2S — CID 112551286

IUPAC2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1sccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H19BrN2O2S/c1-9(12-11(14)3-8-19-12)15-10(2)13(17)16-4-6-18-7-5-16/h3,8-10,15H,4-7H2,1-2H3
InChIKeyHZOYDXLMAGOBLW-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.41
Rot. Bonds4

About 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one

2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (PubChem CID 112551286) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
PubChem CID112551286
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
SMILESCC(NC(C)c1sccc1Br)C(=O)N1CCOCC1
InChIInChI=1S/C13H19BrN2O2S/c1-9(12-11(14)3-8-19-12)15-10(2)13(17)16-4-6-18-7-5-16/h3,8-10,15H,4-7H2,1-2H3
InChIKeyHZOYDXLMAGOBLW-UHFFFAOYSA-N
XLogP2.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81383364
N-[1-(3-bromothiophen-2-yl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779525
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81347605
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
1-morpholin-4-yl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propan-1-one
CID 81402403
2-[1-(3-bromophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115889708
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115898996
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 106344151
2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81354077

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one (CID 112551286) is 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is CC(NC(C)c1sccc1Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is HZOYDXLMAGOBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9(12-11(14)3-8-19-12)15-10(2)13(17)16-4-6-18-7-5-16/h3,8-10,15H,4-7H2,1-2H3.
What are the key properties of 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one?
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 347.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 112551286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).