N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline

C14H23N3S — CID 82889276

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NCCN2CCN(C)CC2)c1
InChIInChI=1S/C14H23N3S/c1-16-8-10-17(11-9-16)7-6-15-13-4-3-5-14(12-13)18-2/h3-5,12,15H,6-11H2,1-2H3
InChIKeyDGFJRCVCGQXXRP-UHFFFAOYSA-N
MW265.43 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline

N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline (PubChem CID 82889276) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline
PubChem CID82889276
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline
SMILESCSc1cccc(NCCN2CCN(C)CC2)c1
InChIInChI=1S/C14H23N3S/c1-16-8-10-17(11-9-16)7-6-15-13-4-3-5-14(12-13)18-2/h3-5,12,15H,6-11H2,1-2H3
InChIKeyDGFJRCVCGQXXRP-UHFFFAOYSA-N
XLogP2.07
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline 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-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfanylaniline
CID 114278990
3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,4-diamine
CID 54861120
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
3-fluoro-4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889797
3,5-dichloro-4-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 107573794
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
3-methylsulfanyl-N-(2-phenylsulfanylethyl)aniline
CID 79212652
N-dodecyl-3-methylsulfanylaniline
CID 63489797
4-bromo-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889277
3-chloro-N-[2-(4-propylpiperazin-1-yl)ethyl]aniline
CID 62575733
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline (CID 82889276) is N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline is CSc1cccc(NCCN2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline?
The InChIKey is DGFJRCVCGQXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-16-8-10-17(11-9-16)7-6-15-13-4-3-5-14(12-13)18-2/h3-5,12,15H,6-11H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline?
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline has a molecular weight of 265.43 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-3-methylsulfanylaniline is sourced from PubChem (CID 82889276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).