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

C17H26N2OS — CID 66422844

IUPACN-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2OS/c1-3-9-19(12-15-6-4-14(2)5-7-15)17(20)11-16-13-21-10-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyNPJFNQOGAKOHLS-UHFFFAOYSA-N
MW306.47 g/mol
LogP2.83
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66422844) has the molecular formula C17H26N2OS and a molecular weight of 306.47 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
PubChem CID66422844
Molecular FormulaC17H26N2OS
Molecular Weight306.47 g/mol
Exact Mass306.18
IUPAC NameN-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide
SMILESCCCN(Cc1ccc(C)cc1)C(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2OS/c1-3-9-19(12-15-6-4-14(2)5-7-15)17(20)11-16-13-21-10-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3
InChIKeyNPJFNQOGAKOHLS-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-(2,2-difluoroethyl)-N-propyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938342
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-(3,5-dimethylphenyl)-N-ethyl-2-thiomorpholin-3-ylacetamide
CID 119937530
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935281
N-ethyl-N-phenyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934908
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935635
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935607
N-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939996

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide (CID 66422844) is N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide is CCCN(Cc1ccc(C)cc1)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is NPJFNQOGAKOHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-9-19(12-15-6-4-14(2)5-7-15)17(20)11-16-13-21-10-8-18-16/h4-7,16,18H,3,8-13H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide?
N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 306.47 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N-propyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66422844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).