(4-bromothiophen-3-yl)-morpholin-4-ylmethanone

C9H10BrNO2S — CID 146012637

IUPAC(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cscc1Br)N1CCOCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-6-14-5-7(8)9(12)11-1-3-13-4-2-11/h5-6H,1-4H2
InChIKeyZHEZGOIISBBHCW-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.98
Rot. Bonds1

About (4-bromothiophen-3-yl)-morpholin-4-ylmethanone

(4-bromothiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 146012637) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID146012637
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1cscc1Br)N1CCOCC1
InChIInChI=1S/C9H10BrNO2S/c10-8-6-14-5-7(8)9(12)11-1-3-13-4-2-11/h5-6H,1-4H2
InChIKeyZHEZGOIISBBHCW-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
4-bromo-N-(2-morpholin-4-yl-2-oxoethyl)thiophene-3-carboxamide
CID 146086530
1-(4-bromothiophen-3-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79595295
(4-bromothiophen-3-yl)-(oxan-4-yl)methanone
CID 79596494
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65372749
(4-bromothiophen-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
CID 136542009
2,4-bis[3-bromo-4-(morpholine-4-carbonyl)phenyl]pentan-3-one
CID 150103048
2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370831
(4-bromothiophen-3-yl)-(oxolan-3-yl)methanone
CID 79596493
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromothiophen-3-yl)-morpholin-4-ylmethanone (CID 146012637) is (4-bromothiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromothiophen-3-yl)-morpholin-4-ylmethanone is O=C(c1cscc1Br)N1CCOCC1.
What is the InChIKey of (4-bromothiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is ZHEZGOIISBBHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-8-6-14-5-7(8)9(12)11-1-3-13-4-2-11/h5-6H,1-4H2.
What are the key properties of (4-bromothiophen-3-yl)-morpholin-4-ylmethanone?
(4-bromothiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 276.15 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 146012637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).