1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine

C18H23NO2S — CID 48936290

IUPAC1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)CCN1CCCC1Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO2S/c1-22(20,21)13-12-19-11-5-9-17(19)14-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3
InChIKeyNRIDNUKZBFPYSQ-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.89
Rot. Bonds5

About 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine

1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine (PubChem CID 48936290) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine
PubChem CID48936290
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine
SMILESCS(=O)(=O)CCN1CCCC1Cc1cccc2ccccc12
InChIInChI=1S/C18H23NO2S/c1-22(20,21)13-12-19-11-5-9-17(19)14-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3
InChIKeyNRIDNUKZBFPYSQ-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
N-[2-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]ethyl]ethanesulfonamide
CID 95249606
(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 94870483
2-benzyl-1-(2-methylsulfonylethyl)piperazine
CID 64846831
1-[1-(2-methylsulfonylethyl)azepan-2-yl]propan-2-ol
CID 114338663
3-(1-methylpyrazol-4-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 94806675
(5-methylpyrazin-2-yl)-[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95156928
(5-methylpyrazin-2-yl)-[2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 49049637
2-(naphthalen-1-ylmethyl)-1,4-diazabicyclo[2.2.2]octane
CID 172815669
[(2S)-2-(naphthalen-1-ylmethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 94801467

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine (CID 48936290) is 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine is CS(=O)(=O)CCN1CCCC1Cc1cccc2ccccc12.
What is the InChIKey of 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is NRIDNUKZBFPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-22(20,21)13-12-19-11-5-9-17(19)14-16-8-4-7-15-6-2-3-10-18(15)16/h2-4,6-8,10,17H,5,9,11-14H2,1H3.
What are the key properties of 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine?
1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 317.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfonylethyl)-2-(naphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 48936290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).