3-[(4-ethylphenyl)methyl]thiomorpholine

C13H19NS — CID 82286776

IUPAC3-[(4-ethylphenyl)methyl]thiomorpholine
SMILESCCc1ccc(CC2CSCCN2)cc1
InChIInChI=1S/C13H19NS/c1-2-11-3-5-12(6-4-11)9-13-10-15-8-7-14-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyKYXYRQBAKPGBPB-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.50
Rot. Bonds3

About 3-[(4-ethylphenyl)methyl]thiomorpholine

3-[(4-ethylphenyl)methyl]thiomorpholine (PubChem CID 82286776) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)methyl]thiomorpholine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)methyl]thiomorpholine
PubChem CID82286776
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC Name3-[(4-ethylphenyl)methyl]thiomorpholine
SMILESCCc1ccc(CC2CSCCN2)cc1
InChIInChI=1S/C13H19NS/c1-2-11-3-5-12(6-4-11)9-13-10-15-8-7-14-13/h3-6,13-14H,2,7-10H2,1H3
InChIKeyKYXYRQBAKPGBPB-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methylphenyl)methyl]thiomorpholine
CID 82283612
3-[(3-chlorophenyl)methyl]thiomorpholine
CID 82288156
3-(thiomorpholin-3-ylmethyl)thiomorpholine
CID 68605296
2-(6-ethylnaphthalen-2-yl)-1-thiomorpholin-3-ylethanone
CID 54573694
N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82916840
2-[(4-ethylphenyl)methyl]-5-methylpiperidine
CID 81319513
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
3-[(1-propylimidazo[4,5-c]pyridin-2-yl)methyl]thiomorpholine
CID 66444646
3-(bromomethyl)thiomorpholine
CID 119096156
4-methyl-5-(thiomorpholin-3-ylmethyl)-1,2-dihydropyrazol-3-one
CID 83871168
3-[2-(4-benzylpiperidin-1-yl)ethyl]thiomorpholine
CID 66422118
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)methyl]thiomorpholine?
The IUPAC name of 3-[(4-ethylphenyl)methyl]thiomorpholine (CID 82286776) is 3-[(4-ethylphenyl)methyl]thiomorpholine.
What is the SMILES notation for 3-[(4-ethylphenyl)methyl]thiomorpholine?
The canonical SMILES for 3-[(4-ethylphenyl)methyl]thiomorpholine is CCc1ccc(CC2CSCCN2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)methyl]thiomorpholine?
The InChIKey is KYXYRQBAKPGBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-11-3-5-12(6-4-11)9-13-10-15-8-7-14-13/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 3-[(4-ethylphenyl)methyl]thiomorpholine?
3-[(4-ethylphenyl)methyl]thiomorpholine has a molecular weight of 221.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)methyl]thiomorpholine is sourced from PubChem (CID 82286776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).