N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide

C15H22N2O2S — CID 66421054

IUPACN-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
SMILESCN(CCOc1ccccc1)C(=O)CC1CSCCN1
InChIInChI=1S/C15H22N2O2S/c1-17(8-9-19-14-5-3-2-4-6-14)15(18)11-13-12-20-10-7-16-13/h2-6,13,16H,7-12H2,1H3
InChIKeyBHESDYXAXHHXLD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide

N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421054) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421054
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
SMILESCN(CCOc1ccccc1)C(=O)CC1CSCCN1
InChIInChI=1S/C15H22N2O2S/c1-17(8-9-19-14-5-3-2-4-6-14)15(18)11-13-12-20-10-7-16-13/h2-6,13,16H,7-12H2,1H3
InChIKeyBHESDYXAXHHXLD-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide (CID 66421054) is N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide is CN(CCOc1ccccc1)C(=O)CC1CSCCN1.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is BHESDYXAXHHXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(8-9-19-14-5-3-2-4-6-14)15(18)11-13-12-20-10-7-16-13/h2-6,13,16H,7-12H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide?
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 294.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).