(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone

C17H20N2O3S — CID 770533

IUPAC(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H20N2O3S/c1-2-23(21,22)19-12-10-18(11-13-19)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3
InChIKeyZJXYDFDASDJRJT-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.95
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone

(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 770533) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
PubChem CID770533
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone
SMILESCCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H20N2O3S/c1-2-23(21,22)19-12-10-18(11-13-19)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3
InChIKeyZJXYDFDASDJRJT-UHFFFAOYSA-N
XLogP1.95
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(R)-4-((S)-2-Amino-3-mercapto-propyl)-3-(2-methoxy-ethyl)-piperazin-1-yl]-naphthalen-1-yl-methanone
CID 44332320
Bunaftine
CID 36131
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
[4-((R)-2-Amino-3-mercapto-propyl)-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone
CID 20638589
Naphthalen-1-yl(piperidin-1-yl)methanone
CID 229390
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
N-Naphthalen-1-ylmethyl-4-sulfamoyl-benzamide
CID 10382616
[(S)-4-((S)-2-Amino-2-mercapto-ethyl)-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone
CID 44348932
1-(Naphthalene-1-carbonyl)-piperidine-4-carboxylic acid amide
CID 845121
(4-Methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 883764
4-(Naphthalene-2-carbonyl)-piperazine-1-carboxylic acid ethyl ester
CID 883848

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone (CID 770533) is (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone is CCS(=O)(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is ZJXYDFDASDJRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-23(21,22)19-12-10-18(11-13-19)17(20)16-9-5-7-14-6-3-4-8-15(14)16/h3-9H,2,10-13H2,1H3.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone?
(4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 332.42 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperazin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 770533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).