N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H25ClN2O3S — CID 119937075

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-18(16(19)11-13-12-22-10-7-17-13)8-9-21-15-6-4-3-5-14(15)20-2;/h3-6,13,17H,7-12H2,1-2H3;1H
InChIKeyLFNPCZSFIFLFPM-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.05
Rot. Bonds7

About N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937075) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937075
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCOc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-18(16(19)11-13-12-22-10-7-17-13)8-9-21-15-6-4-3-5-14(15)20-2;/h3-6,13,17H,7-12H2,1-2H3;1H
InChIKeyLFNPCZSFIFLFPM-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66420085
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119776524
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937075) is N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is COc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is LFNPCZSFIFLFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-18(16(19)11-13-12-22-10-7-17-13)8-9-21-15-6-4-3-5-14(15)20-2;/h3-6,13,17H,7-12H2,1-2H3;1H.
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).