(3-bromothiophen-2-yl)-morpholin-4-ylmethanone

C9H10BrNO2S — CID 23438053

IUPAC(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sccc1Br)N1CCOCC1
InChIInChI=1S/C9H10BrNO2S/c10-7-1-6-14-8(7)9(12)11-2-4-13-5-3-11/h1,6H,2-5H2
InChIKeyBTVJSGAHTOFXMI-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.98
Rot. Bonds1

About (3-bromothiophen-2-yl)-morpholin-4-ylmethanone

(3-bromothiophen-2-yl)-morpholin-4-ylmethanone (PubChem CID 23438053) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
PubChem CID23438053
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
SMILESO=C(c1sccc1Br)N1CCOCC1
InChIInChI=1S/C9H10BrNO2S/c10-7-1-6-14-8(7)9(12)11-2-4-13-5-3-11/h1,6H,2-5H2
InChIKeyBTVJSGAHTOFXMI-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

Thiophene-2-carboxylic acid, morpholide
CID 531921
[5-(Morpholine-4-carbonyl)-thiophen-2-yl]-morpholin-4-yl-methanone
CID 723574
N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2292963
2,6-Dimethylmorpholin-4-yl 2-thienyl ketone
CID 2851287
5-bromo-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 2225398
(4,5-Dibromothiophen-2-yl)-morpholin-4-ylmethanone
CID 24979897
(4,5-Dibromothiophen-2-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 25161803
N-[2-(morpholin-4-yl)ethyl]thiophene-2-carboxamide
CID 652318
(3-Bromothiophen-2-yl)(2-methylmorpholino)methanone
CID 47039165
1-[4-(3-Bromothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 47219251
5-bromo-N-(2-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 51078105
Piperidin-1-yl(thiophen-2-yl)methanone
CID 679021

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-bromothiophen-2-yl)-morpholin-4-ylmethanone (CID 23438053) is (3-bromothiophen-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-bromothiophen-2-yl)-morpholin-4-ylmethanone is O=C(c1sccc1Br)N1CCOCC1.
What is the InChIKey of (3-bromothiophen-2-yl)-morpholin-4-ylmethanone?
The InChIKey is BTVJSGAHTOFXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-7-1-6-14-8(7)9(12)11-2-4-13-5-3-11/h1,6H,2-5H2.
What are the key properties of (3-bromothiophen-2-yl)-morpholin-4-ylmethanone?
(3-bromothiophen-2-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 (3-bromothiophen-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 23438053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).