1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone

C15H21NO2S — CID 116586475

IUPAC1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
SMILESCCCOc1ccccc1C(=O)CC1CSCCN1
InChIInChI=1S/C15H21NO2S/c1-2-8-18-15-6-4-3-5-13(15)14(17)10-12-11-19-9-7-16-12/h3-6,12,16H,2,7-11H2,1H3
InChIKeyUGBLWPFNTNQNDE-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.75
Rot. Bonds6

About 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone

1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone (PubChem CID 116586475) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
PubChem CID116586475
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
SMILESCCCOc1ccccc1C(=O)CC1CSCCN1
InChIInChI=1S/C15H21NO2S/c1-2-8-18-15-6-4-3-5-13(15)14(17)10-12-11-19-9-7-16-12/h3-6,12,16H,2,7-11H2,1H3
InChIKeyUGBLWPFNTNQNDE-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-propoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609477
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
1-(5-methylthiophen-2-yl)-2-thiomorpholin-3-ylethanone
CID 116586505
1-(3-propylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586592
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-[1-(2-ethoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936699
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
CID 79536019

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone (CID 116586475) is 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone is CCCOc1ccccc1C(=O)CC1CSCCN1.
What is the InChIKey of 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone?
The InChIKey is UGBLWPFNTNQNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-2-8-18-15-6-4-3-5-13(15)14(17)10-12-11-19-9-7-16-12/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone?
1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone has a molecular weight of 279.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 116586475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).