1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine

C17H22N2O2S2 — CID 27429093

IUPAC1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14-3-6-16(7-4-14)13-18-9-11-19(12-10-18)23(20,21)17-8-5-15(2)22-17/h3-8H,9-13H2,1-2H3
InChIKeyADZJAVDXSBBCBF-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine

1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine (PubChem CID 27429093) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
PubChem CID27429093
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Name1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
SMILESCc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14-3-6-16(7-4-14)13-18-9-11-19(12-10-18)23(20,21)17-8-5-15(2)22-17/h3-8H,9-13H2,1-2H3
InChIKeyADZJAVDXSBBCBF-UHFFFAOYSA-N
XLogP2.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine 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

1-(5-bromothiophen-2-yl)sulfonyl-4-[(4-methylphenyl)methyl]piperazine
CID 9442908
1-(5-methylthiophen-2-yl)sulfonyl-4-[(2,4,6-trimethylphenyl)methyl]piperazine
CID 110399236
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144
2-(4-methylphenyl)sulfanyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 46566261
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
1-(5-methylthiophen-2-yl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 113074757
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
1-benzyl-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113073930
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
1-(5-ethylthiophen-2-yl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine
CID 113074210
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(4-methylphenyl)sulfonyl-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane
CID 23852790

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine (CID 27429093) is 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine is Cc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
The InChIKey is ADZJAVDXSBBCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-14-3-6-16(7-4-14)13-18-9-11-19(12-10-18)23(20,21)17-8-5-15(2)22-17/h3-8H,9-13H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine?
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine is sourced from PubChem (CID 27429093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).