N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide

C13H19N3OS — CID 114700218

IUPACN-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cnccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C13H19N3OS/c1-10-7-14-3-2-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyZTKLAZQIMDDAOZ-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.10
Rot. Bonds4

About N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide

N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 114700218) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID114700218
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1cnccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C13H19N3OS/c1-10-7-14-3-2-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17)
InChIKeyZTKLAZQIMDDAOZ-UHFFFAOYSA-N
XLogP1.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
N-[(4-methyl-3-pyridinyl)methyl]-2-morpholin-3-ylacetamide
CID 114956082
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940864
N-[(2-phenylsulfanylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119938875
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 114700218) is N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1cnccc1CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZTKLAZQIMDDAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-10-7-14-3-2-11(10)8-16-13(17)6-12-9-18-5-4-15-12/h2-3,7,12,15H,4-6,8-9H2,1H3,(H,16,17).
What are the key properties of N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 265.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114700218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).