(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C17H24N2O3S — CID 94416624

IUPAC(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O3S/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/h3-4,6,8,16H,2,5,7,9-13H2,1H3/t16-/m1/s1
InChIKeyWDLHJGAUHNIESX-MRXNPFEDSA-N
MW336.46 g/mol
LogP1.60
Rot. Bonds3

About (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 94416624) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID94416624
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C17H24N2O3S/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/h3-4,6,8,16H,2,5,7,9-13H2,1H3/t16-/m1/s1
InChIKeyWDLHJGAUHNIESX-MRXNPFEDSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone 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

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55619980
1-[4-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 42946806
(4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134062077
[4-(ethylaminomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119647672
[4-(methylamino)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119563339
[4-(bromomethyl)piperidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80678102
(4-hydroxy-4-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80706477
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55558546
(1-oxo-1,4-thiazinan-4-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95593666
N-ethyl-2-[4-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 94797188
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 95584813
(4-amino-3-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 81450521

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 94416624) is (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is WDLHJGAUHNIESX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O3S/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/h3-4,6,8,16H,2,5,7,9-13H2,1H3/t16-/m1/s1.
What are the key properties of (4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
(4-ethylsulfonylpiperazin-1-yl)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 336.46 g/mol, XLogP of 1.60, 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)-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 94416624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).