4-(4-thiophen-2-ylbutyl)morpholine

C12H19NOS — CID 23438252

IUPAC4-(4-thiophen-2-ylbutyl)morpholine
SMILESc1csc(CCCCN2CCOCC2)c1
InChIInChI=1S/C12H19NOS/c1(4-12-5-3-11-15-12)2-6-13-7-9-14-10-8-13/h3,5,11H,1-2,4,6-10H2
InChIKeyVUYTXECJRJFYOF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.40
Rot. Bonds5

About 4-(4-thiophen-2-ylbutyl)morpholine

4-(4-thiophen-2-ylbutyl)morpholine (PubChem CID 23438252) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylbutyl)morpholine.

Molecular Properties

Compound Name4-(4-thiophen-2-ylbutyl)morpholine
PubChem CID23438252
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(4-thiophen-2-ylbutyl)morpholine
SMILESc1csc(CCCCN2CCOCC2)c1
InChIInChI=1S/C12H19NOS/c1(4-12-5-3-11-15-12)2-6-13-7-9-14-10-8-13/h3,5,11H,1-2,4,6-10H2
InChIKeyVUYTXECJRJFYOF-UHFFFAOYSA-N
XLogP2.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylbutyl)morpholine?
The IUPAC name of 4-(4-thiophen-2-ylbutyl)morpholine (CID 23438252) is 4-(4-thiophen-2-ylbutyl)morpholine.
What is the SMILES notation for 4-(4-thiophen-2-ylbutyl)morpholine?
The canonical SMILES for 4-(4-thiophen-2-ylbutyl)morpholine is c1csc(CCCCN2CCOCC2)c1.
What is the InChIKey of 4-(4-thiophen-2-ylbutyl)morpholine?
The InChIKey is VUYTXECJRJFYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1(4-12-5-3-11-15-12)2-6-13-7-9-14-10-8-13/h3,5,11H,1-2,4,6-10H2.
What are the key properties of 4-(4-thiophen-2-ylbutyl)morpholine?
4-(4-thiophen-2-ylbutyl)morpholine has a molecular weight of 225.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylbutyl)morpholine is sourced from PubChem (CID 23438252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).