N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide

C13H20N2OS2 — CID 103821107

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCc1ccc(CNC(=O)CC2CSCCN2)s1
InChIInChI=1S/C13H20N2OS2/c1-2-11-3-4-12(18-11)8-15-13(16)7-10-9-17-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3,(H,15,16)
InChIKeyODOSKILNTMEHQB-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.02
Rot. Bonds5

About N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 103821107) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID103821107
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCCc1ccc(CNC(=O)CC2CSCCN2)s1
InChIInChI=1S/C13H20N2OS2/c1-2-11-3-4-12(18-11)8-15-13(16)7-10-9-17-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3,(H,15,16)
InChIKeyODOSKILNTMEHQB-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940336
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-(2,2-diethylbutyl)-2-thiomorpholin-3-ylacetamide
CID 119940576
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 103821107) is N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide is CCc1ccc(CNC(=O)CC2CSCCN2)s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ODOSKILNTMEHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-2-11-3-4-12(18-11)8-15-13(16)7-10-9-17-6-5-14-10/h3-4,10,14H,2,5-9H2,1H3,(H,15,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 284.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 103821107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).