N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C16H25ClN2O2S — CID 119937188

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1cccc(C)c1OCCNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12-4-3-5-13(2)16(12)20-8-6-18-15(19)10-14-11-21-9-7-17-14;/h3-5,14,17H,6-11H2,1-2H3,(H,18,19);1H
InChIKeyODIJOBNNPZAQCL-UHFFFAOYSA-N
MW344.91 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119937188) has the molecular formula C16H25ClN2O2S and a molecular weight of 344.91 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119937188
Molecular FormulaC16H25ClN2O2S
Molecular Weight344.91 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCc1cccc(C)c1OCCNC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C16H24N2O2S.ClH/c1-12-4-3-5-13(2)16(12)20-8-6-18-15(19)10-14-11-21-9-7-17-14;/h3-5,14,17H,6-11H2,1-2H3,(H,18,19);1H
InChIKeyODIJOBNNPZAQCL-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.91
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
N-[2-(2-hydroxyethoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420493
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[2-(2-methylprop-2-enoxy)ethyl]-2-thiomorpholin-3-ylacetamide
CID 114467849

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119937188) is N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cc1cccc(C)c1OCCNC(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is ODIJOBNNPZAQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S.ClH/c1-12-4-3-5-13(2)16(12)20-8-6-18-15(19)10-14-11-21-9-7-17-14;/h3-5,14,17H,6-11H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 344.91 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119937188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).