(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone

C11H14BrNO2S — CID 106854402

IUPAC(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
SMILESCC1SCCN(C(=O)c2ccoc2Br)C1C
InChIInChI=1S/C11H14BrNO2S/c1-7-8(2)16-6-4-13(7)11(14)9-3-5-15-10(9)12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyKMNLVMKJPHJYDT-UHFFFAOYSA-N
MW304.21 g/mol
LogP3.01
Rot. Bonds1

About (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone

(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone (PubChem CID 106854402) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
PubChem CID106854402
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC Name(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
SMILESCC1SCCN(C(=O)c2ccoc2Br)C1C
InChIInChI=1S/C11H14BrNO2S/c1-7-8(2)16-6-4-13(7)11(14)9-3-5-15-10(9)12/h3,5,7-8H,4,6H2,1-2H3
InChIKeyKMNLVMKJPHJYDT-UHFFFAOYSA-N
XLogP3.01
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(4-bromo-2-fluorophenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 113238113
(2-bromofuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 106852628
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 113238099
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2,3-dimethylthiomorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107035978
(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 120634085
(2,3-dimethylthiomorpholin-4-yl)-(1H-indol-3-yl)methanone
CID 115634509
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106854446
[(2S,3S)-2,3-dimethylthiomorpholin-4-yl]-(5-ethylfuran-2-yl)methanone
CID 95630042
(2,3-dimethylthiomorpholin-4-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072517
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone (CID 106854402) is (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone is CC1SCCN(C(=O)c2ccoc2Br)C1C.
What is the InChIKey of (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is KMNLVMKJPHJYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-7-8(2)16-6-4-13(7)11(14)9-3-5-15-10(9)12/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone?
(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 304.21 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 106854402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).