4-(5-methyl-1-benzothiophen-2-yl)morpholine

C13H15NOS — CID 12539106

IUPAC4-(5-methyl-1-benzothiophen-2-yl)morpholine
SMILESCc1ccc2sc(N3CCOCC3)cc2c1
InChIInChI=1S/C13H15NOS/c1-10-2-3-12-11(8-10)9-13(16-12)14-4-6-15-7-5-14/h2-3,8-9H,4-7H2,1H3
InChIKeyDWNRCCLMXCDXSJ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.05
Rot. Bonds1

About 4-(5-methyl-1-benzothiophen-2-yl)morpholine

4-(5-methyl-1-benzothiophen-2-yl)morpholine (PubChem CID 12539106) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-(5-methyl-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-1-benzothiophen-2-yl)morpholine
PubChem CID12539106
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name4-(5-methyl-1-benzothiophen-2-yl)morpholine
SMILESCc1ccc2sc(N3CCOCC3)cc2c1
InChIInChI=1S/C13H15NOS/c1-10-2-3-12-11(8-10)9-13(16-12)14-4-6-15-7-5-14/h2-3,8-9H,4-7H2,1H3
InChIKeyDWNRCCLMXCDXSJ-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 4-(5-methyl-1-benzothiophen-2-yl)morpholine (CID 12539106) is 4-(5-methyl-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 4-(5-methyl-1-benzothiophen-2-yl)morpholine is Cc1ccc2sc(N3CCOCC3)cc2c1.
What is the InChIKey of 4-(5-methyl-1-benzothiophen-2-yl)morpholine?
The InChIKey is DWNRCCLMXCDXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-2-3-12-11(8-10)9-13(16-12)14-4-6-15-7-5-14/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-(5-methyl-1-benzothiophen-2-yl)morpholine?
4-(5-methyl-1-benzothiophen-2-yl)morpholine has a molecular weight of 233.34 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 12539106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).