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

C9H10BrNO2S — CID 116576378

IUPAC(4-bromothiophen-3-yl)-morpholin-3-ylmethanone
SMILESO=C(c1cscc1Br)C1COCCN1
InChIInChI=1S/C9H10BrNO2S/c10-7-5-14-4-6(7)9(12)8-3-13-2-1-11-8/h4-5,8,11H,1-3H2
InChIKeyGWZMSPXIOHWQDS-UHFFFAOYSA-N
MW276.15 g/mol
LogP1.68
Rot. Bonds2

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

(4-bromothiophen-3-yl)-morpholin-3-ylmethanone (PubChem CID 116576378) has the molecular formula C9H10BrNO2S and a molecular weight of 276.15 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-morpholin-3-ylmethanone
PubChem CID116576378
Molecular FormulaC9H10BrNO2S
Molecular Weight276.15 g/mol
Exact Mass274.96
IUPAC Name(4-bromothiophen-3-yl)-morpholin-3-ylmethanone
SMILESO=C(c1cscc1Br)C1COCCN1
InChIInChI=1S/C9H10BrNO2S/c10-7-5-14-4-6(7)9(12)8-3-13-2-1-11-8/h4-5,8,11H,1-3H2
InChIKeyGWZMSPXIOHWQDS-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-morpholin-3-ylmethanone?
The IUPAC name of (4-bromothiophen-3-yl)-morpholin-3-ylmethanone (CID 116576378) is (4-bromothiophen-3-yl)-morpholin-3-ylmethanone.
What is the SMILES notation for (4-bromothiophen-3-yl)-morpholin-3-ylmethanone?
The canonical SMILES for (4-bromothiophen-3-yl)-morpholin-3-ylmethanone is O=C(c1cscc1Br)C1COCCN1.
What is the InChIKey of (4-bromothiophen-3-yl)-morpholin-3-ylmethanone?
The InChIKey is GWZMSPXIOHWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2S/c10-7-5-14-4-6(7)9(12)8-3-13-2-1-11-8/h4-5,8,11H,1-3H2.
What are the key properties of (4-bromothiophen-3-yl)-morpholin-3-ylmethanone?
(4-bromothiophen-3-yl)-morpholin-3-ylmethanone has a molecular weight of 276.15 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-morpholin-3-ylmethanone is sourced from PubChem (CID 116576378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).