4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine

C16H27NOS — CID 126757553

IUPAC4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine
SMILESCC(C)(CC1CN(C(C)(C)C)CCO1)c1cccs1
InChIInChI=1S/C16H27NOS/c1-15(2,3)17-8-9-18-13(12-17)11-16(4,5)14-7-6-10-19-14/h6-7,10,13H,8-9,11-12H2,1-5H3
InChIKeyVZXSUCCIEWVXED-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.92
Rot. Bonds3

About 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine

4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine (PubChem CID 126757553) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine
PubChem CID126757553
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine
SMILESCC(C)(CC1CN(C(C)(C)C)CCO1)c1cccs1
InChIInChI=1S/C16H27NOS/c1-15(2,3)17-8-9-18-13(12-17)11-16(4,5)14-7-6-10-19-14/h6-7,10,13H,8-9,11-12H2,1-5H3
InChIKeyVZXSUCCIEWVXED-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine?
The IUPAC name of 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine (CID 126757553) is 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine is CC(C)(CC1CN(C(C)(C)C)CCO1)c1cccs1.
What is the InChIKey of 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine?
The InChIKey is VZXSUCCIEWVXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-15(2,3)17-8-9-18-13(12-17)11-16(4,5)14-7-6-10-19-14/h6-7,10,13H,8-9,11-12H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine?
4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine has a molecular weight of 281.46 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)morpholine is sourced from PubChem (CID 126757553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).