1-(3-fluorophenyl)sulfanylpiperazine

C10H13FN2S — CID 142028527

IUPAC1-(3-fluorophenyl)sulfanylpiperazine
SMILESFc1cccc(SN2CCNCC2)c1
InChIInChI=1S/C10H13FN2S/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyAPLZWIVJULWZJW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.74
Rot. Bonds2

About 1-(3-fluorophenyl)sulfanylpiperazine

1-(3-fluorophenyl)sulfanylpiperazine (PubChem CID 142028527) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfanylpiperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfanylpiperazine
PubChem CID142028527
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name1-(3-fluorophenyl)sulfanylpiperazine
SMILESFc1cccc(SN2CCNCC2)c1
InChIInChI=1S/C10H13FN2S/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
InChIKeyAPLZWIVJULWZJW-UHFFFAOYSA-N
XLogP1.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.74
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-(3-fluorophenyl)sulfanylpiperazine?
The IUPAC name of 1-(3-fluorophenyl)sulfanylpiperazine (CID 142028527) is 1-(3-fluorophenyl)sulfanylpiperazine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfanylpiperazine?
The canonical SMILES for 1-(3-fluorophenyl)sulfanylpiperazine is Fc1cccc(SN2CCNCC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfanylpiperazine?
The InChIKey is APLZWIVJULWZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-9-2-1-3-10(8-9)14-13-6-4-12-5-7-13/h1-3,8,12H,4-7H2.
What are the key properties of 1-(3-fluorophenyl)sulfanylpiperazine?
1-(3-fluorophenyl)sulfanylpiperazine has a molecular weight of 212.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfanylpiperazine is sourced from PubChem (CID 142028527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).