1-naphthalen-2-ylsulfanylpentan-2-one

C15H16OS — CID 62042537

IUPAC1-naphthalen-2-ylsulfanylpentan-2-one
SMILESCCCC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C15H16OS/c1-2-5-14(16)11-17-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-10H,2,5,11H2,1H3
InChIKeyHGWNAHYXZPLLRC-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.30
Rot. Bonds5

About 1-naphthalen-2-ylsulfanylpentan-2-one

1-naphthalen-2-ylsulfanylpentan-2-one (PubChem CID 62042537) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfanylpentan-2-one.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfanylpentan-2-one
PubChem CID62042537
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-naphthalen-2-ylsulfanylpentan-2-one
SMILESCCCC(=O)CSc1ccc2ccccc2c1
InChIInChI=1S/C15H16OS/c1-2-5-14(16)11-17-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-10H,2,5,11H2,1H3
InChIKeyHGWNAHYXZPLLRC-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)sulfanylpentan-2-one
CID 62043404
1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
formic acid;2-propylsulfanylnaphthalene
CID 143073136
1-phenylsulfanylhexadecan-2-one
CID 67669348
1-(3,5-dichlorophenyl)sulfanylpentan-2-one
CID 165440950
3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
1-(4-bromophenyl)sulfanylhexan-2-one
CID 66056259
1-(4-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 840044
1-(4-iodophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43218764
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237
(2-amino-2-oxoethyl) 2-naphthalen-2-ylsulfanylacetate
CID 2096952
N-(1-ethylpiperidin-1-ium-4-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 9091102

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfanylpentan-2-one?
The IUPAC name of 1-naphthalen-2-ylsulfanylpentan-2-one (CID 62042537) is 1-naphthalen-2-ylsulfanylpentan-2-one.
What is the SMILES notation for 1-naphthalen-2-ylsulfanylpentan-2-one?
The canonical SMILES for 1-naphthalen-2-ylsulfanylpentan-2-one is CCCC(=O)CSc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfanylpentan-2-one?
The InChIKey is HGWNAHYXZPLLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-2-5-14(16)11-17-15-9-8-12-6-3-4-7-13(12)10-15/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 1-naphthalen-2-ylsulfanylpentan-2-one?
1-naphthalen-2-ylsulfanylpentan-2-one has a molecular weight of 244.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfanylpentan-2-one is sourced from PubChem (CID 62042537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).