3-(5-bromo-4-methylthiophen-2-yl)morpholine

C9H12BrNOS — CID 130059273

IUPAC3-(5-bromo-4-methylthiophen-2-yl)morpholine
SMILESCc1cc(C2COCCN2)sc1Br
InChIInChI=1S/C9H12BrNOS/c1-6-4-8(13-9(6)10)7-5-12-3-2-11-7/h4,7,11H,2-3,5H2,1H3
InChIKeyRAXYILJJMRZHGR-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.48
Rot. Bonds1

About 3-(5-bromo-4-methylthiophen-2-yl)morpholine

3-(5-bromo-4-methylthiophen-2-yl)morpholine (PubChem CID 130059273) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 3-(5-bromo-4-methylthiophen-2-yl)morpholine.

Molecular Properties

Compound Name3-(5-bromo-4-methylthiophen-2-yl)morpholine
PubChem CID130059273
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name3-(5-bromo-4-methylthiophen-2-yl)morpholine
SMILESCc1cc(C2COCCN2)sc1Br
InChIInChI=1S/C9H12BrNOS/c1-6-4-8(13-9(6)10)7-5-12-3-2-11-7/h4,7,11H,2-3,5H2,1H3
InChIKeyRAXYILJJMRZHGR-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
(2R)-2-(5-bromo-4-methylthiophen-2-yl)azetidine;hydrochloride
CID 171197221
(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine
CID 130648707
3-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971678
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
4-bromo-3,5-dimethyl-2-[(3R)-morpholin-3-yl]phenol
CID 131417656
3-(3,5-dibromophenyl)morpholine
CID 126971173
3,5-dimethyl-4-[(3R)-morpholin-3-yl]phenol
CID 131479210
3-(2,6-dimethylphenyl)morpholine
CID 55298000
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
2,6-dimethyl-4-[(3R)-morpholin-3-yl]phenol;hydrochloride
CID 171192630
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)morpholine?
The IUPAC name of 3-(5-bromo-4-methylthiophen-2-yl)morpholine (CID 130059273) is 3-(5-bromo-4-methylthiophen-2-yl)morpholine.
What is the SMILES notation for 3-(5-bromo-4-methylthiophen-2-yl)morpholine?
The canonical SMILES for 3-(5-bromo-4-methylthiophen-2-yl)morpholine is Cc1cc(C2COCCN2)sc1Br.
What is the InChIKey of 3-(5-bromo-4-methylthiophen-2-yl)morpholine?
The InChIKey is RAXYILJJMRZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-6-4-8(13-9(6)10)7-5-12-3-2-11-7/h4,7,11H,2-3,5H2,1H3.
What are the key properties of 3-(5-bromo-4-methylthiophen-2-yl)morpholine?
3-(5-bromo-4-methylthiophen-2-yl)morpholine has a molecular weight of 262.17 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylthiophen-2-yl)morpholine is sourced from PubChem (CID 130059273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).