N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide

C16H24N2O2S — CID 119938649

IUPACN-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cccc(CCCNC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-20-15-6-2-4-13(10-15)5-3-7-18-16(19)11-14-12-21-9-8-17-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3,(H,18,19)
InChIKeyRTMZPONPHHDVGB-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.84
Rot. Bonds7

About N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide

N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938649) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938649
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cccc(CCCNC(=O)CC2CSCCN2)c1
InChIInChI=1S/C16H24N2O2S/c1-20-15-6-2-4-13(10-15)5-3-7-18-16(19)11-14-12-21-9-8-17-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3,(H,18,19)
InChIKeyRTMZPONPHHDVGB-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937471
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[(3-ethoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936440
N-[3-(2-phenylethoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119937369
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938762
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-[[3-(2-methylpropoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937835
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
N-(3-anilinopropyl)-2-thiomorpholin-3-ylacetamide
CID 119941694
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide (CID 119938649) is N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide is COc1cccc(CCCNC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is RTMZPONPHHDVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-20-15-6-2-4-13(10-15)5-3-7-18-16(19)11-14-12-21-9-8-17-14/h2,4,6,10,14,17H,3,5,7-9,11-12H2,1H3,(H,18,19).
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide?
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 308.45 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).