N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide

C16H24N2OS — CID 119937530

IUPACN-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2OS/c1-4-18(15-8-12(2)7-13(3)9-15)16(19)10-14-11-20-6-5-17-14/h7-9,14,17H,4-6,10-11H2,1-3H3
InChIKeyHKWXQIOKXJKVHY-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.75
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide

N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide (PubChem CID 119937530) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
PubChem CID119937530
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H24N2OS/c1-4-18(15-8-12(2)7-13(3)9-15)16(19)10-14-11-20-6-5-17-14/h7-9,14,17H,4-6,10-11H2,1-3H3
InChIKeyHKWXQIOKXJKVHY-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.75
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-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119939621
N-ethyl-N-(2-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422086
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
CID 66422844
1-(3-fluoro-5-methylphenyl)-2-thiomorpholin-3-ylethanone
CID 116586513
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-cyclopropyl-N-(4-methylcyclohexyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937131
N-ethyl-3-methyl-N-(thiomorpholin-3-ylmethyl)aniline
CID 82915842
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide (CID 119937530) is N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide is CCN(C(=O)CC1CSCCN1)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is HKWXQIOKXJKVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-4-18(15-8-12(2)7-13(3)9-15)16(19)10-14-11-20-6-5-17-14/h7-9,14,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide?
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 292.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).