6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine

C10H14BrNOS — CID 65102206

IUPAC6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(c2ccc(Br)s2)O1
InChIInChI=1S/C10H14BrNOS/c1-10(2)6-12-5-7(13-10)8-3-4-9(11)14-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJCWJGNNYZSKOST-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.95
Rot. Bonds1

About 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine

6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine (PubChem CID 65102206) has the molecular formula C10H14BrNOS and a molecular weight of 276.20 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
PubChem CID65102206
Molecular FormulaC10H14BrNOS
Molecular Weight276.20 g/mol
Exact Mass275.00
IUPAC Name6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
SMILESCC1(C)CNCC(c2ccc(Br)s2)O1
InChIInChI=1S/C10H14BrNOS/c1-10(2)6-12-5-7(13-10)8-3-4-9(11)14-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyJCWJGNNYZSKOST-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine?
The IUPAC name of 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine (CID 65102206) is 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine is CC1(C)CNCC(c2ccc(Br)s2)O1.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine?
The InChIKey is JCWJGNNYZSKOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNOS/c1-10(2)6-12-5-7(13-10)8-3-4-9(11)14-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine?
6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine has a molecular weight of 276.20 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 65102206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).