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

C16H25ClN2O2S — CID 119935731

IUPACN-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-13-5-3-4-6-15(13)20-9-8-18(2)16(19)11-14-12-21-10-7-17-14;/h3-6,14,17H,7-12H2,1-2H3;1H
InChIKeyQVKXJCMKQNHUQG-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.35
Rot. Bonds6

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

N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935731) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935731
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-13-5-3-4-6-15(13)20-9-8-18(2)16(19)11-14-12-21-10-7-17-14;/h3-6,14,17H,7-12H2,1-2H3;1H
InChIKeyQVKXJCMKQNHUQG-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
CID 97109015
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-[3-(dimethylamino)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422503
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
1-(2-propoxyphenyl)-2-thiomorpholin-3-ylethanone
CID 116586475
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935731) is N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1ccccc1OCCN(C)C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is QVKXJCMKQNHUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-13-5-3-4-6-15(13)20-9-8-18(2)16(19)11-14-12-21-10-7-17-14;/h3-6,14,17H,7-12H2,1-2H3;1H.
What are the key properties of N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.35, 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-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).