1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine

C25H34N2O2S — CID 68927157

IUPAC1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)cc1
InChIInChI=1S/C25H34N2O2S/c1-4-30(28,29)25-11-8-20(9-12-25)21-5-6-23-18-24(10-7-22(23)17-21)27-15-13-26(14-16-27)19(2)3/h5-6,8-9,11-12,17,19,24H,4,7,10,13-16,18H2,1-3H3
InChIKeyCZHJTNPQFPKYIH-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.03
Rot. Bonds5

About 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine

1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine (PubChem CID 68927157) has the molecular formula C25H34N2O2S and a molecular weight of 426.63 g/mol. Its IUPAC name is 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine
PubChem CID68927157
Molecular FormulaC25H34N2O2S
Molecular Weight426.63 g/mol
Exact Mass426.23
IUPAC Name1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine
SMILESCCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)cc1
InChIInChI=1S/C25H34N2O2S/c1-4-30(28,29)25-11-8-20(9-12-25)21-5-6-23-18-24(10-7-22(23)17-21)27-15-13-26(14-16-27)19(2)3/h5-6,8-9,11-12,17,19,24H,4,7,10,13-16,18H2,1-3H3
InChIKeyCZHJTNPQFPKYIH-UHFFFAOYSA-N
XLogP4.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine (CID 68927157) is 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine is CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)cc1.
What is the InChIKey of 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine?
The InChIKey is CZHJTNPQFPKYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2S/c1-4-30(28,29)25-11-8-20(9-12-25)21-5-6-23-18-24(10-7-22(23)17-21)27-15-13-26(14-16-27)19(2)3/h5-6,8-9,11-12,17,19,24H,4,7,10,13-16,18H2,1-3H3.
What are the key properties of 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine?
1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine has a molecular weight of 426.63 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 68927157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).