1-(2-methylphenyl)-4-phenylsulfanylpiperazine

C17H20N2S — CID 12645574

IUPAC1-(2-methylphenyl)-4-phenylsulfanylpiperazine
SMILESCc1ccccc1N1CCN(Sc2ccccc2)CC1
InChIInChI=1S/C17H20N2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)20-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
InChIKeyQQEYLWVQCKDGIG-UHFFFAOYSA-N
MW284.43 g/mol
LogP3.82
Rot. Bonds3

About 1-(2-methylphenyl)-4-phenylsulfanylpiperazine

1-(2-methylphenyl)-4-phenylsulfanylpiperazine (PubChem CID 12645574) has the molecular formula C17H20N2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-phenylsulfanylpiperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-phenylsulfanylpiperazine
PubChem CID12645574
Molecular FormulaC17H20N2S
Molecular Weight284.43 g/mol
Exact Mass284.13
IUPAC Name1-(2-methylphenyl)-4-phenylsulfanylpiperazine
SMILESCc1ccccc1N1CCN(Sc2ccccc2)CC1
InChIInChI=1S/C17H20N2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)20-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3
InChIKeyQQEYLWVQCKDGIG-UHFFFAOYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-phenylsulfanylpiperazine?
The IUPAC name of 1-(2-methylphenyl)-4-phenylsulfanylpiperazine (CID 12645574) is 1-(2-methylphenyl)-4-phenylsulfanylpiperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-phenylsulfanylpiperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-phenylsulfanylpiperazine is Cc1ccccc1N1CCN(Sc2ccccc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-phenylsulfanylpiperazine?
The InChIKey is QQEYLWVQCKDGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2S/c1-15-7-5-6-10-17(15)18-11-13-19(14-12-18)20-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-phenylsulfanylpiperazine?
1-(2-methylphenyl)-4-phenylsulfanylpiperazine has a molecular weight of 284.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-phenylsulfanylpiperazine is sourced from PubChem (CID 12645574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).