1-(5-fluoro-2-methylphenyl)sulfanylpiperazine

C11H15FN2S — CID 143592244

IUPAC1-(5-fluoro-2-methylphenyl)sulfanylpiperazine
SMILESCc1ccc(F)cc1SN1CCNCC1
InChIInChI=1S/C11H15FN2S/c1-9-2-3-10(12)8-11(9)15-14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyXLXZOVIFKIIKFH-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine

1-(5-fluoro-2-methylphenyl)sulfanylpiperazine (PubChem CID 143592244) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)sulfanylpiperazine
PubChem CID143592244
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name1-(5-fluoro-2-methylphenyl)sulfanylpiperazine
SMILESCc1ccc(F)cc1SN1CCNCC1
InChIInChI=1S/C11H15FN2S/c1-9-2-3-10(12)8-11(9)15-14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKeyXLXZOVIFKIIKFH-UHFFFAOYSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
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-(5-fluoro-2-methylphenyl)sulfanylpiperazine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine (CID 143592244) is 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine is Cc1ccc(F)cc1SN1CCNCC1.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine?
The InChIKey is XLXZOVIFKIIKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c1-9-2-3-10(12)8-11(9)15-14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine?
1-(5-fluoro-2-methylphenyl)sulfanylpiperazine has a molecular weight of 226.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)sulfanylpiperazine is sourced from PubChem (CID 143592244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).