N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide

C18H22N2OS — CID 119935410

IUPACN-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2OS/c1-13(20-18(21)11-17-12-22-9-8-19-17)15-7-6-14-4-2-3-5-16(14)10-15/h2-7,10,13,17,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyXDLPJCGRNRRZGB-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.11
Rot. Bonds4

About N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide

N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119935410) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
PubChem CID119935410
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
SMILESCC(NC(=O)CC1CSCCN1)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2OS/c1-13(20-18(21)11-17-12-22-9-8-19-17)15-7-6-14-4-2-3-5-16(14)10-15/h2-7,10,13,17,19H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyXDLPJCGRNRRZGB-UHFFFAOYSA-N
XLogP3.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936283
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935893
N-[1-(3-acetamidophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936282
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940482

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide (CID 119935410) is N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide is CC(NC(=O)CC1CSCCN1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is XDLPJCGRNRRZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-13(20-18(21)11-17-12-22-9-8-19-17)15-7-6-14-4-2-3-5-16(14)10-15/h2-7,10,13,17,19H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide?
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).