(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

C11H16BrNOS — CID 59332666

IUPAC(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cc(Br)cs2)C[C@H](C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-4-13(5-9(2)14-8)6-11-3-10(12)7-15-11/h3,7-9H,4-6H2,1-2H3/t8-,9+
InChIKeyAMLVLHJJYVRSPX-DTORHVGOSA-N
MW290.23 g/mol
LogP3.12
Rot. Bonds2

About (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine

(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (PubChem CID 59332666) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
PubChem CID59332666
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC Name(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2cc(Br)cs2)C[C@H](C)O1
InChIInChI=1S/C11H16BrNOS/c1-8-4-13(5-9(2)14-8)6-11-3-10(12)7-15-11/h3,7-9H,4-6H2,1-2H3/t8-,9+
InChIKeyAMLVLHJJYVRSPX-DTORHVGOSA-N
XLogP3.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 130770047
1-[(4-bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677218
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
1-[(4-bromothiophen-2-yl)methyl]-3-ethylpiperidin-4-ol
CID 114510889
1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917618
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-4-yl]ethanamine
CID 63594782
2-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648060
1-[1-[(4-bromothiophen-2-yl)methyl]piperidin-3-yl]ethanone
CID 63846149
1-[(4-bromothiophen-2-yl)methyl]-3-cyclopropyl-1,4-diazepane
CID 64869938
4-[(4-bromothiophen-2-yl)methyl]-2-(chloromethyl)morpholine
CID 81210610
(3R)-1-[(4-bromothiophen-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 129368760

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine (CID 59332666) is (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2cc(Br)cs2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
The InChIKey is AMLVLHJJYVRSPX-DTORHVGOSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8-4-13(5-9(2)14-8)6-11-3-10(12)7-15-11/h3,7-9H,4-6H2,1-2H3/t8-,9+.
What are the key properties of (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine has a molecular weight of 290.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(4-bromothiophen-2-yl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 59332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).