3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one

C19H23NO2S — CID 45234956

IUPAC3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCSCCC(=O)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2S/c1-23-12-9-19(21)20-10-11-22-17(14-20)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-14H2,1H3
InChIKeyIGOJFVWZMHEZPO-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.36
Rot. Bonds5

About 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one

3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one (PubChem CID 45234956) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
PubChem CID45234956
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCSCCC(=O)N1CCOC(Cc2cccc3ccccc23)C1
InChIInChI=1S/C19H23NO2S/c1-23-12-9-19(21)20-10-11-22-17(14-20)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-14H2,1H3
InChIKeyIGOJFVWZMHEZPO-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Furanpropanethiol, tetrahydro-S-(2-morpholinoethyl)-beta-(1-naphthyl)-
CID 39474
(3S*,4S*)-4-(2-naphthyl)-1-propionylpiperidin-3-ol
CID 56715170
N,N-dimethyl-4-{[2-(1-naphthylmethyl)-4-morpholinyl]carbonyl}-1-piperidinecarboxamide
CID 45170992
1-[4-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-4-oxobutyl]pyrrolidin-2-one
CID 25365144
(2S)-4-methylsulfonyl-2-(naphthalen-1-ylmethyl)morpholine
CID 26333876
2-(1-Naphthylmethyl)-4-(4,4,4-trifluorobutanoyl)morpholine
CID 45187494
4-[2-[2-(Naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]morpholine
CID 27106
2-methylsulfanyl-1-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
CID 25303778
2-methylsulfanyl-1-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]ethanone
CID 25303780
3-methylsulfanyl-1-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
CID 29217949
3-methylsulfanyl-1-[(2R)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]propan-1-one
CID 29217951
4,4,4-trifluoro-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 42415257

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one (CID 45234956) is 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one is CSCCC(=O)N1CCOC(Cc2cccc3ccccc23)C1.
What is the InChIKey of 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The InChIKey is IGOJFVWZMHEZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-23-12-9-19(21)20-10-11-22-17(14-20)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-8,17H,9-14H2,1H3.
What are the key properties of 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one has a molecular weight of 329.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 45234956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).