N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

C13H19N3O2S — CID 66421642

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCCn1cc(NC(=O)CC2CSCCN2)ccc1=O
InChIInChI=1S/C13H19N3O2S/c1-2-16-8-10(3-4-13(16)18)15-12(17)7-11-9-19-6-5-14-11/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17)
InChIKeyOTRACCFKGHWUNT-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.90
Rot. Bonds4

About N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide

N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66421642) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
PubChem CID66421642
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide
SMILESCCn1cc(NC(=O)CC2CSCCN2)ccc1=O
InChIInChI=1S/C13H19N3O2S/c1-2-16-8-10(3-4-13(16)18)15-12(17)7-11-9-19-6-5-14-11/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17)
InChIKeyOTRACCFKGHWUNT-UHFFFAOYSA-N
XLogP0.90
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-thiomorpholin-3-ylacetamide
CID 119938369
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(1-propylindol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 119941631
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(4-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66423032
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940974
2-thiomorpholin-3-yl-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 66420248
N-(3-iodo-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66422026
N-(4-fluoro-3-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420709
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935848

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide (CID 66421642) is N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is CCn1cc(NC(=O)CC2CSCCN2)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is OTRACCFKGHWUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-16-8-10(3-4-13(16)18)15-12(17)7-11-9-19-6-5-14-11/h3-4,8,11,14H,2,5-7,9H2,1H3,(H,15,17).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 281.38 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).