4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine

C20H19NO2S — CID 777370

IUPAC4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine
SMILESO=S(=O)(CCc1ccncc1)Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H19NO2S/c22-24(23,13-10-15-8-11-21-12-9-15)14-18-7-6-17-5-4-16-2-1-3-19(18)20(16)17/h1-3,6-9,11-12H,4-5,10,13-14H2
InChIKeyJUDRRLMSQFOEPS-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.49
Rot. Bonds5

About 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine

4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine (PubChem CID 777370) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine
PubChem CID777370
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC Name4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine
SMILESO=S(=O)(CCc1ccncc1)Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H19NO2S/c22-24(23,13-10-15-8-11-21-12-9-15)14-18-7-6-17-5-4-16-2-1-3-19(18)20(16)17/h1-3,6-9,11-12H,4-5,10,13-14H2
InChIKeyJUDRRLMSQFOEPS-UHFFFAOYSA-N
XLogP3.49
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,2-Dihydroacenaphthylen-3-yl)pyridine
CID 11586681
3-(1,2-Dihydroacenaphthylen-5-yl)pyridine
CID 23644953
n-[5-(3-Pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11580514
4-[2-(Naphthalen-1-ylmethylsulfanyl)-ethyl]-pyridine
CID 1626247
4-[2-(Acenaphthene-1-sulfonyl)-ethyl]-pyridine
CID 16682323
Acenaphtho(1,2-c)pyridine
CID 248578
N-[5-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
CID 11638499
1-(3-Sulfonatopropyl)-4-(beta)(2-(di-n-butylamino)-6-naphthylvinyl)pyridinium betaine
CID 6438327
N-[2,3-dihydro-1H-inden-5-yl(pyridin-3-yl)methyl]-N-ethylmethanesulfonamide
CID 75377237
3-[4-(Benzenesulfinyl)naphthalen-2-yl]pyridine
CID 118720486
3-[3-(Benzenesulfonyl)naphthalen-2-yl]pyridine
CID 118720487
4-(Benzhydrylsulfinylmethyl)pyridine
CID 137650031

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine?
The IUPAC name of 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine (CID 777370) is 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine.
What is the SMILES notation for 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine?
The canonical SMILES for 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine is O=S(=O)(CCc1ccncc1)Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine?
The InChIKey is JUDRRLMSQFOEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c22-24(23,13-10-15-8-11-21-12-9-15)14-18-7-6-17-5-4-16-2-1-3-19(18)20(16)17/h1-3,6-9,11-12H,4-5,10,13-14H2.
What are the key properties of 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine?
4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine has a molecular weight of 337.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-dihydroacenaphthylen-5-ylmethylsulfonyl)ethyl]pyridine is sourced from PubChem (CID 777370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).