4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine

C13H21N3S — CID 83020816

IUPAC4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
SMILESCN1CCN(NCCSc2ccccc2)CC1
InChIInChI=1S/C13H21N3S/c1-15-8-10-16(11-9-15)14-7-12-17-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyHIADWBCCFRBKNW-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.53
Rot. Bonds5

About 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine

4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine (PubChem CID 83020816) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
PubChem CID83020816
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine
SMILESCN1CCN(NCCSc2ccccc2)CC1
InChIInChI=1S/C13H21N3S/c1-15-8-10-16(11-9-15)14-7-12-17-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3
InChIKeyHIADWBCCFRBKNW-UHFFFAOYSA-N
XLogP1.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-(2-phenylsulfanylethyl)piperidin-4-amine
CID 60664696
1-(1-methylpiperidin-4-yl)-N-(2-phenylsulfanylethyl)ethanamine
CID 54881034
1-methyl-4-[2-(2-phenylsulfanylethoxy)ethyl]piperazine
CID 2992878
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373042
4-methyl-N-(3-methyl-2-phenylbutyl)piperazin-1-amine
CID 107876354
N-(2-phenylsulfanylethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 54961115
2-phenylsulfanyl-N-[2-[2-(2-phenylsulfanylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 6431756
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
CID 78998004
4-methyl-N-phenylpiperazin-1-amine
CID 22361228
N-[2-(4-bromophenoxy)ethyl]-4-methylpiperazin-1-amine
CID 83021906
4-(dimethylsulfamoyl)-N-(2-phenylsulfanylethyl)piperazine-1-carboxamide
CID 33384848
2-[(4-methylpiperazin-1-yl)amino]ethanethiol
CID 57053298

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine?
The IUPAC name of 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine (CID 83020816) is 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine?
The canonical SMILES for 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine is CN1CCN(NCCSc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine?
The InChIKey is HIADWBCCFRBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-15-8-10-16(11-9-15)14-7-12-17-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3.
What are the key properties of 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine?
4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine has a molecular weight of 251.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylsulfanylethyl)piperazin-1-amine is sourced from PubChem (CID 83020816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).