1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone

C17H19NO3S — CID 90584610

IUPAC1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO3S/c1-22(20,21)15-9-10-18(12-15)17(19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3
InChIKeyVGMIDHBOESQQIA-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.03
Rot. Bonds3

About 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone

1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone (PubChem CID 90584610) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
PubChem CID90584610
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO3S/c1-22(20,21)15-9-10-18(12-15)17(19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3
InChIKeyVGMIDHBOESQQIA-UHFFFAOYSA-N
XLogP2.03
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
CID 87338963
(2-ethoxynaphthalen-1-yl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584648
4-(2-naphthalen-1-ylacetyl)morpholine-2-carbonitrile
CID 78945470
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 7921209
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 71805583
1-(2-isoquinolin-8-ylacetyl)-N-methylpiperidine-4-sulfonamide
CID 166316152

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone (CID 90584610) is 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone is CS(=O)(=O)C1CCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone?
The InChIKey is VGMIDHBOESQQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-22(20,21)15-9-10-18(12-15)17(19)11-14-7-4-6-13-5-2-3-8-16(13)14/h2-8,15H,9-12H2,1H3.
What are the key properties of 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone?
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone has a molecular weight of 317.41 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 90584610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).