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

Analyze 3-[(3-tert-butylphenoxy)methyl]thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methylphenoxy)methyl]thiomorpholine
CID 82287244
3-[(3-fluorophenoxy)methyl]thiomorpholine
CID 82287984
2-[(3-tert-butylphenoxy)methyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141386808
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
4-[2-(3-tert-butylphenoxy)ethyl]piperidine;hydrochloride
CID 56830247
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
1-(4-tert-butylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586667
3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
1-(3-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586621

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).