N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide

C15H22N2OS — CID 86993654

IUPACN-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(CNC(=O)C(C)N2CCSCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-3-5-14(6-4-12)11-16-15(18)13(2)17-7-9-19-10-8-17/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyPFKOYPZIZOCJCS-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.05
Rot. Bonds4

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

N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide (PubChem CID 86993654) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
PubChem CID86993654
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide
SMILESCc1ccc(CNC(=O)C(C)N2CCSCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-3-5-14(6-4-12)11-16-15(18)13(2)17-7-9-19-10-8-17/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyPFKOYPZIZOCJCS-UHFFFAOYSA-N
XLogP2.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118
(2S)-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31873600
(2R)-N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445607
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 17450172
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30172650
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-thiomorpholin-4-ylpropanamide
CID 166190895
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
(2R)-N-[(4-methylphenyl)methyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 25487651
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 78877519
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide (CID 86993654) is N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide is Cc1ccc(CNC(=O)C(C)N2CCSCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide?
The InChIKey is PFKOYPZIZOCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-3-5-14(6-4-12)11-16-15(18)13(2)17-7-9-19-10-8-17/h3-6,13H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide?
N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-thiomorpholin-4-ylpropanamide is sourced from PubChem (CID 86993654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).