N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine

C20H27N3O2S — CID 71040305

IUPACN-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-21-16-18-8-10-19(11-9-18)26(24,25)23-14-12-22(13-15-23)20-7-5-4-6-17(20)2/h4-11,21H,3,12-16H2,1-2H3
InChIKeyJDEVIFCXWZNDQB-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.62
Rot. Bonds6

About N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine

N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine (PubChem CID 71040305) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
PubChem CID71040305
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1
InChIInChI=1S/C20H27N3O2S/c1-3-21-16-18-8-10-19(11-9-18)26(24,25)23-14-12-22(13-15-23)20-7-5-4-6-17(20)2/h4-11,21H,3,12-16H2,1-2H3
InChIKeyJDEVIFCXWZNDQB-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine 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

N-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine
CID 71040307
1-(2-methylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 674120
1-ethylsulfonyl-4-(2-methylphenyl)piperazine
CID 6468889
N-[[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 79180625
1-(2-nitrophenyl)-4-(4-propylphenyl)sulfonylpiperazine
CID 9108511
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
1-(5-chloro-2-methylphenyl)-4-(4-ethylphenyl)sulfonylpiperazine
CID 19682893
N-[(2R)-butan-2-yl]-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzenesulfonamide
CID 1168468
N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 62994333
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(2,3-dimethylphenyl)-4-(4-iodophenyl)sulfonylpiperazine
CID 3590123
1-(4-bromophenyl)sulfonyl-4-(2,3-dimethylphenyl)piperazine
CID 1344730

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine (CID 71040305) is N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine is CCNCc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1.
What is the InChIKey of N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine?
The InChIKey is JDEVIFCXWZNDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-3-21-16-18-8-10-19(11-9-18)26(24,25)23-14-12-22(13-15-23)20-7-5-4-6-17(20)2/h4-11,21H,3,12-16H2,1-2H3.
What are the key properties of N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine?
N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine has a molecular weight of 373.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(2-methylphenyl)piperazin-1-yl]sulfonylphenyl]methyl]ethanamine is sourced from PubChem (CID 71040305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).