1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone

C16H17NO2S — CID 2200849

IUPAC1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H17NO2S/c18-16(17-7-9-19-10-8-17)12-20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyIOKBQCVIYBMSDO-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.79
Rot. Bonds3

About 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone

1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone (PubChem CID 2200849) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone
PubChem CID2200849
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone
SMILESO=C(CSc1ccc2ccccc2c1)N1CCOCC1
InChIInChI=1S/C16H17NO2S/c18-16(17-7-9-19-10-8-17)12-20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2
InChIKeyIOKBQCVIYBMSDO-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 875760
1-Morpholin-4-yl-2-(4-propan-2-ylphenyl)sulfanylethanone
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3-[(4-Methylphenyl)sulfanyl]-1-(morpholin-4-yl)propan-1-one
CID 894134
1-(2-Methylpiperidin-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 3645022
N-methyl-N-(1-methylpiperidin-4-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 5201760
1-Morpholin-4-yl-2-naphthalen-2-ylsulfonylethanone
CID 6483848
2-naphthalen-2-ylsulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 2347935
1-(2-Naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxamide
CID 2348586
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2371737
Ethyl 1-(2-naphthalen-2-ylsulfanylacetyl)piperidine-4-carboxylate
CID 3502447
(E)-3-[4-(4-fluorophenyl)sulfanyl-2-(trifluoromethyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 57658508
3-[4-(4-Fluorophenyl)sulfanyl-2-(trifluoromethyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 76585391

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone?
The IUPAC name of 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone (CID 2200849) is 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone?
The canonical SMILES for 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone is O=C(CSc1ccc2ccccc2c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone?
The InChIKey is IOKBQCVIYBMSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-16(17-7-9-19-10-8-17)12-20-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11H,7-10,12H2.
What are the key properties of 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone?
1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone has a molecular weight of 287.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-naphthalen-2-ylsulfanylethanone is sourced from PubChem (CID 2200849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).