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

C14H20N2OS — CID 66422601

IUPACN-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(CNC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-11-2-4-12(5-3-11)9-16-14(17)8-13-10-18-7-6-15-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyWEHOZQDEBDFLTA-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.71
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66422601) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66422601
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ccc(CNC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-11-2-4-12(5-3-11)9-16-14(17)8-13-10-18-7-6-15-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyWEHOZQDEBDFLTA-UHFFFAOYSA-N
XLogP1.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiomorpholin-3-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119935770
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119941680
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119937973
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119935574
N-[[4-(phenoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936591
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119940823
N-[(4-pyrazol-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936845
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
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66422601) is N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1ccc(CNC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WEHOZQDEBDFLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11-2-4-12(5-3-11)9-16-14(17)8-13-10-18-7-6-15-13/h2-5,13,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 264.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).