4-[(5-tert-butylthiophen-2-yl)methyl]morpholine

C13H21NOS — CID 59467480

IUPAC4-[(5-tert-butylthiophen-2-yl)methyl]morpholine
SMILESCC(C)(C)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C13H21NOS/c1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14/h4-5H,6-10H2,1-3H3
InChIKeyWXVMSSDFBVOJDP-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.88
Rot. Bonds2

About 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine

4-[(5-tert-butylthiophen-2-yl)methyl]morpholine (PubChem CID 59467480) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-tert-butylthiophen-2-yl)methyl]morpholine
PubChem CID59467480
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-[(5-tert-butylthiophen-2-yl)methyl]morpholine
SMILESCC(C)(C)c1ccc(CN2CCOCC2)s1
InChIInChI=1S/C13H21NOS/c1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14/h4-5H,6-10H2,1-3H3
InChIKeyWXVMSSDFBVOJDP-UHFFFAOYSA-N
XLogP2.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine 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 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine (CID 59467480) is 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine is CC(C)(C)c1ccc(CN2CCOCC2)s1.
What is the InChIKey of 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine?
The InChIKey is WXVMSSDFBVOJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-13(2,3)12-5-4-11(16-12)10-14-6-8-15-9-7-14/h4-5H,6-10H2,1-3H3.
What are the key properties of 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine?
4-[(5-tert-butylthiophen-2-yl)methyl]morpholine has a molecular weight of 239.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butylthiophen-2-yl)methyl]morpholine is sourced from PubChem (CID 59467480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).