2-(1-benzothiophen-3-yl)morpholine

C12H13NOS — CID 116963130

IUPAC2-(1-benzothiophen-3-yl)morpholine
SMILESc1ccc2c(C3CNCCO3)csc2c1
InChIInChI=1S/C12H13NOS/c1-2-4-12-9(3-1)10(8-15-12)11-7-13-5-6-14-11/h1-4,8,11,13H,5-7H2
InChIKeyBTBVZMAFEFEYMT-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.56
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)morpholine

2-(1-benzothiophen-3-yl)morpholine (PubChem CID 116963130) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)morpholine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)morpholine
PubChem CID116963130
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(1-benzothiophen-3-yl)morpholine
SMILESc1ccc2c(C3CNCCO3)csc2c1
InChIInChI=1S/C12H13NOS/c1-2-4-12-9(3-1)10(8-15-12)11-7-13-5-6-14-11/h1-4,8,11,13H,5-7H2
InChIKeyBTBVZMAFEFEYMT-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)morpholine?
The IUPAC name of 2-(1-benzothiophen-3-yl)morpholine (CID 116963130) is 2-(1-benzothiophen-3-yl)morpholine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)morpholine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)morpholine is c1ccc2c(C3CNCCO3)csc2c1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)morpholine?
The InChIKey is BTBVZMAFEFEYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-4-12-9(3-1)10(8-15-12)11-7-13-5-6-14-11/h1-4,8,11,13H,5-7H2.
What are the key properties of 2-(1-benzothiophen-3-yl)morpholine?
2-(1-benzothiophen-3-yl)morpholine has a molecular weight of 219.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)morpholine is sourced from PubChem (CID 116963130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).