N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide

C11H16N4OS — CID 114110925

IUPACN-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccncn1
InChIInChI=1S/C11H16N4OS/c16-11(5-10-7-17-4-3-13-10)14-6-9-1-2-12-8-15-9/h1-2,8,10,13H,3-7H2,(H,14,16)
InChIKeyKXWSGWCORJSUOI-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.19
Rot. Bonds4

About N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide

N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 114110925) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID114110925
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NCc1ccncn1
InChIInChI=1S/C11H16N4OS/c16-11(5-10-7-17-4-3-13-10)14-6-9-1-2-12-8-15-9/h1-2,8,10,13H,3-7H2,(H,14,16)
InChIKeyKXWSGWCORJSUOI-UHFFFAOYSA-N
XLogP0.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119941653
N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
2-thiomorpholin-3-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;dihydrochloride
CID 119941652
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide (CID 114110925) is N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NCc1ccncn1.
What is the InChIKey of N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KXWSGWCORJSUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c16-11(5-10-7-17-4-3-13-10)14-6-9-1-2-12-8-15-9/h1-2,8,10,13H,3-7H2,(H,14,16).
What are the key properties of N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide?
N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 252.34 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 114110925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).