(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine

C10H14BrNOS — CID 130648707

IUPAC(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine
SMILESCCc1sc([C@@H]2COCCN2)cc1Br
InChIInChI=1S/C10H14BrNOS/c1-2-9-7(11)5-10(14-9)8-6-13-4-3-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyAKEHFCVSIMJCKE-QMMMGPOBSA-N
MW276.20 g/mol
LogP2.73
Rot. Bonds2

About (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine

(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine (PubChem CID 130648707) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine
PubChem CID130648707
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine
SMILESCCc1sc([C@@H]2COCCN2)cc1Br
InChIInChI=1S/C10H14BrNOS/c1-2-9-7(11)5-10(14-9)8-6-13-4-3-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyAKEHFCVSIMJCKE-QMMMGPOBSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromo-5-ethylthiophen-2-yl)piperazine
CID 131014010
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
3-(3,5-dibromophenyl)morpholine
CID 126971173
(3R)-3-(3,4-dibromophenyl)morpholine
CID 130641524
3-(4-bromo-2,6-dimethoxyphenyl)morpholine
CID 154562086
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
2-bromo-6-methoxy-4-[(3R)-morpholin-3-yl]phenol
CID 131429409
3-(3-ethyl-4-methoxyphenyl)morpholine
CID 82286598
3-(7-fluoro-1-benzothiophen-2-yl)morpholine
CID 82621222
(3S)-3-(5-nitrothiophen-2-yl)morpholine
CID 130747257
(3R)-3-(5-nitrothiophen-2-yl)morpholine
CID 130751942

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine?
The IUPAC name of (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine (CID 130648707) is (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine.
What is the SMILES notation for (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine?
The canonical SMILES for (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine is CCc1sc([C@@H]2COCCN2)cc1Br.
What is the InChIKey of (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine?
The InChIKey is AKEHFCVSIMJCKE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-2-9-7(11)5-10(14-9)8-6-13-4-3-12-8/h5,8,12H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine?
(3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine has a molecular weight of 276.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-5-ethylthiophen-2-yl)morpholine is sourced from PubChem (CID 130648707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).