3-[(3-tert-butylphenoxy)methyl]thiomorpholine

C15H23NOS — CID 82304208

IUPAC3-[(3-tert-butylphenoxy)methyl]thiomorpholine
SMILESCC(C)(C)c1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C15H23NOS/c1-15(2,3)12-5-4-6-14(9-12)17-10-13-11-18-8-7-16-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3
InChIKeyNRPHAWFYIULAPI-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.07
Rot. Bonds3

About 3-[(3-tert-butylphenoxy)methyl]thiomorpholine

3-[(3-tert-butylphenoxy)methyl]thiomorpholine (PubChem CID 82304208) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-[(3-tert-butylphenoxy)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(3-tert-butylphenoxy)methyl]thiomorpholine
PubChem CID82304208
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-[(3-tert-butylphenoxy)methyl]thiomorpholine
SMILESCC(C)(C)c1cccc(OCC2CSCCN2)c1
InChIInChI=1S/C15H23NOS/c1-15(2,3)12-5-4-6-14(9-12)17-10-13-11-18-8-7-16-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3
InChIKeyNRPHAWFYIULAPI-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butylphenoxy)methyl]thiomorpholine?
The IUPAC name of 3-[(3-tert-butylphenoxy)methyl]thiomorpholine (CID 82304208) is 3-[(3-tert-butylphenoxy)methyl]thiomorpholine.
What is the SMILES notation for 3-[(3-tert-butylphenoxy)methyl]thiomorpholine?
The canonical SMILES for 3-[(3-tert-butylphenoxy)methyl]thiomorpholine is CC(C)(C)c1cccc(OCC2CSCCN2)c1.
What is the InChIKey of 3-[(3-tert-butylphenoxy)methyl]thiomorpholine?
The InChIKey is NRPHAWFYIULAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-15(2,3)12-5-4-6-14(9-12)17-10-13-11-18-8-7-16-13/h4-6,9,13,16H,7-8,10-11H2,1-3H3.
What are the key properties of 3-[(3-tert-butylphenoxy)methyl]thiomorpholine?
3-[(3-tert-butylphenoxy)methyl]thiomorpholine has a molecular weight of 265.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butylphenoxy)methyl]thiomorpholine is sourced from PubChem (CID 82304208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).