(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone

C13H15BrN2O2S — CID 122134424

IUPAC(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc3cc(Br)sc3[nH]2)CCO1
InChIInChI=1S/C13H15BrN2O2S/c1-2-9-7-16(3-4-18-9)13(17)10-5-8-6-11(14)19-12(8)15-10/h5-6,9,15H,2-4,7H2,1H3
InChIKeyWTNIUPHPSLGEEI-UHFFFAOYSA-N
MW343.25 g/mol
LogP3.24
Rot. Bonds2

About (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone

(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone (PubChem CID 122134424) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone
PubChem CID122134424
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone
SMILESCCC1CN(C(=O)c2cc3cc(Br)sc3[nH]2)CCO1
InChIInChI=1S/C13H15BrN2O2S/c1-2-9-7-16(3-4-18-9)13(17)10-5-8-6-11(14)19-12(8)15-10/h5-6,9,15H,2-4,7H2,1H3
InChIKeyWTNIUPHPSLGEEI-UHFFFAOYSA-N
XLogP3.24
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
2-(5-bromothiophen-2-yl)-1-[(2S)-2-ethylmorpholin-4-yl]ethanone
CID 96547494
(4-bromo-3-methylphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 112705730
(2S)-N-[(5-bromothiophen-3-yl)methyl]-2-ethylmorpholine-4-carboxamide
CID 97097732
(5-amino-2-bromo-4-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 62814552
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(2-amino-5-bromo-4-pyridinyl)-(2-ethylmorpholin-4-yl)methanone
CID 114193900
(4-bromo-2-methoxyphenyl)-(2-ethylmorpholin-4-yl)methanone
CID 78988641
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
5-(2-ethylmorpholine-4-carbonyl)furan-3-carboxylic acid
CID 113432240
2-ethylmorpholine-4-carboxylic acid
CID 121455686
[4-bromo-2-(trifluoromethyl)phenyl]-(2-ethylmorpholin-4-yl)methanone
CID 103925202

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone?
The IUPAC name of (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone (CID 122134424) is (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone?
The canonical SMILES for (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone is CCC1CN(C(=O)c2cc3cc(Br)sc3[nH]2)CCO1.
What is the InChIKey of (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone?
The InChIKey is WTNIUPHPSLGEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-2-9-7-16(3-4-18-9)13(17)10-5-8-6-11(14)19-12(8)15-10/h5-6,9,15H,2-4,7H2,1H3.
What are the key properties of (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone?
(2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone has a molecular weight of 343.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6H-thieno[2,3-b]pyrrol-5-yl)-(2-ethylmorpholin-4-yl)methanone is sourced from PubChem (CID 122134424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).