[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone

C11H15BrN2O2S — CID 99598727

IUPAC[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
SMILESC[C@H](N)[C@H]1CN(C(=O)c2sccc2Br)CCO1
InChIInChI=1S/C11H15BrN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3/t7-,9+/m0/s1
InChIKeyCQWIJVVPDCKJJR-IONNQARKSA-N
MW319.22 g/mol
LogP1.70
Rot. Bonds2

About [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone

[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone (PubChem CID 99598727) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
PubChem CID99598727
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone
SMILESC[C@H](N)[C@H]1CN(C(=O)c2sccc2Br)CCO1
InChIInChI=1S/C11H15BrN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3/t7-,9+/m0/s1
InChIKeyCQWIJVVPDCKJJR-IONNQARKSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-(3-chlorothiophen-2-yl)methanone
CID 115315137
(3-bromothiophen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 47039165
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone;hydrochloride
CID 119519075
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-2-fluorophenyl)methanone
CID 107956289
(3-bromothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62613244
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-methoxyphenyl)methanone
CID 81484079
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103807821
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone?
The IUPAC name of [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone (CID 99598727) is [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone?
The canonical SMILES for [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone is C[C@H](N)[C@H]1CN(C(=O)c2sccc2Br)CCO1.
What is the InChIKey of [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone?
The InChIKey is CQWIJVVPDCKJJR-IONNQARKSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7(13)9-6-14(3-4-16-9)11(15)10-8(12)2-5-17-10/h2,5,7,9H,3-4,6,13H2,1H3/t7-,9+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone?
[(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone has a molecular weight of 319.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(3-bromothiophen-2-yl)methanone is sourced from PubChem (CID 99598727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).