N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride

C14H21ClN2OS — CID 119934908

IUPACN-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(C(=O)CC1CSCCN1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-16(13-6-4-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h3-7,12,15H,2,8-11H2,1H3;1H
InChIKeyHDSKPSTUXJIZEU-UHFFFAOYSA-N
MW300.85 g/mol
LogP2.56
Rot. Bonds4

About N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride

N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119934908) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119934908
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC NameN-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCCN(C(=O)CC1CSCCN1)c1ccccc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-2-16(13-6-4-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h3-7,12,15H,2,8-11H2,1H3;1H
InChIKeyHDSKPSTUXJIZEU-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-benzyl-N-(4-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935581
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119939621
N-[2-(N-methylanilino)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940895
N-[2-(N-methylanilino)propyl]-2-thiomorpholin-3-ylacetamide
CID 119941241
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-methyl-N-(3-propan-2-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 119937905
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938821

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119934908) is N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride is CCN(C(=O)CC1CSCCN1)c1ccccc1.Cl.
What is the InChIKey of N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is HDSKPSTUXJIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-2-16(13-6-4-3-5-7-13)14(17)10-12-11-18-9-8-15-12;/h3-7,12,15H,2,8-11H2,1H3;1H.
What are the key properties of N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 300.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119934908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).