N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine

C14H23N3O2S — CID 62994127

IUPACN-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-12(15-2)13-6-4-5-7-14(13)16-8-10-17(11-9-16)20(3,18)19/h4-7,12,15H,8-11H2,1-3H3
InChIKeyJQVINLUYINYRGK-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.05
Rot. Bonds4

About N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine

N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 62994127) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
PubChem CID62994127
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H23N3O2S/c1-12(15-2)13-6-4-5-7-14(13)16-8-10-17(11-9-16)20(3,18)19/h4-7,12,15H,8-11H2,1-3H3
InChIKeyJQVINLUYINYRGK-UHFFFAOYSA-N
XLogP1.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]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

(1R)-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960112
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 71142174
1-[2-(4,4-dimethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62936574
1-(2-methylsulfanylphenyl)-4-methylsulfonylpiperazine
CID 3824582
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 63158539
1-[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]ethanol
CID 106836301
2-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 153409878
N-methyl-1-[2-(3-phenylazetidin-1-yl)phenyl]ethanamine
CID 79678434
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-(benzenesulfonyl)-4-(2-propan-2-ylphenyl)piperazine
CID 113076137
1-[2-(3,3-diethylazetidin-1-yl)phenyl]-N-methylethanamine
CID 79678198
1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine (CID 62994127) is N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine is CNC(C)c1ccccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is JQVINLUYINYRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-12(15-2)13-6-4-5-7-14(13)16-8-10-17(11-9-16)20(3,18)19/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine?
N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 297.42 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 62994127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).