5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one

C16H18O3S — CID 105084239

IUPAC5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
SMILESCS(=O)(=O)CCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O3S/c1-20(18,19)11-5-9-15(17)12-14-8-4-7-13-6-2-3-10-16(13)14/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyCVWRSFVPQVJKEU-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.78
Rot. Bonds6

About 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one

5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one (PubChem CID 105084239) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one.

Molecular Properties

Compound Name5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
PubChem CID105084239
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
SMILESCS(=O)(=O)CCCC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H18O3S/c1-20(18,19)11-5-9-15(17)12-14-8-4-7-13-6-2-3-10-16(13)14/h2-4,6-8,10H,5,9,11-12H2,1H3
InChIKeyCVWRSFVPQVJKEU-UHFFFAOYSA-N
XLogP2.78
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 9-naphthalen-1-yl-8-oxononanoate
CID 58248652
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-ylbutan-2-one
CID 4564544
4-ethoxy-1-naphthalen-1-ylbutan-2-one
CID 61054445
1-(3-chlorophenyl)-5-methylsulfonylpentan-2-one
CID 63192015
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
1-(4-methoxyphenyl)-5-methylsulfonylpentan-2-one
CID 63192392
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
CID 124596970
1-(2-chloro-6-fluorophenyl)-5-methylsulfonylpentan-2-one
CID 63192120
tert-butyl 5-naphthalen-1-yl-4-oxopentanoate
CID 159291703

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one?
The IUPAC name of 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one (CID 105084239) is 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one.
What is the SMILES notation for 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one?
The canonical SMILES for 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one is CS(=O)(=O)CCCC(=O)Cc1cccc2ccccc12.
What is the InChIKey of 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one?
The InChIKey is CVWRSFVPQVJKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-20(18,19)11-5-9-15(17)12-14-8-4-7-13-6-2-3-10-16(13)14/h2-4,6-8,10H,5,9,11-12H2,1H3.
What are the key properties of 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one?
5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one has a molecular weight of 290.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one is sourced from PubChem (CID 105084239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).