2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine

C16H19NO2S — CID 58733423

IUPAC2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine
SMILESCC1CCCN1S(=O)(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-13-5-4-10-17(13)20(18,19)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyFMECHSQUBQYKFT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.15
Rot. Bonds3

About 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine

2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine (PubChem CID 58733423) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine
PubChem CID58733423
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine
SMILESCC1CCCN1S(=O)(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2S/c1-13-5-4-10-17(13)20(18,19)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyFMECHSQUBQYKFT-UHFFFAOYSA-N
XLogP3.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 20718917
1-[(3,4-dichlorophenyl)methylsulfonyl]-2-methylpiperidine
CID 56513515
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(3S,4S)-4-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122103877
1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068602
5-methyl-1-(naphthalen-2-ylmethylsulfonyl)piperidine-3-carboxylic acid
CID 122105974
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
2-cyclopropyl-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine
CID 110871848
(2S)-1-benzylsulfonylpyrrolidine-2-carboxylic acid
CID 10199278
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62332486
naphthalen-2-ylmethanesulfonyl fluoride
CID 165460618

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine?
The IUPAC name of 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine (CID 58733423) is 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine?
The canonical SMILES for 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine is CC1CCCN1S(=O)(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine?
The InChIKey is FMECHSQUBQYKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-13-5-4-10-17(13)20(18,19)12-14-8-9-15-6-2-3-7-16(15)11-14/h2-3,6-9,11,13H,4-5,10,12H2,1H3.
What are the key properties of 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine?
2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine has a molecular weight of 289.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(naphthalen-2-ylmethylsulfonyl)pyrrolidine is sourced from PubChem (CID 58733423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).