(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane

C11H15FNPS2 — CID 87174103

IUPAC(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESFc1ccccc1P(=S)(S)N1CCCCC1
InChIInChI=1S/C11H15FNPS2/c12-10-6-2-3-7-11(10)14(15,16)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
InChIKeyZBWZCZKOINMTJF-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.18
Rot. Bonds2

About (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane

(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 87174103) has the molecular formula C11H15FNPS2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID87174103
Molecular FormulaC11H15FNPS2
Molecular Weight275.35 g/mol
Exact Mass275.04
IUPAC Name(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane
SMILESFc1ccccc1P(=S)(S)N1CCCCC1
InChIInChI=1S/C11H15FNPS2/c12-10-6-2-3-7-11(10)14(15,16)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16)
InChIKeyZBWZCZKOINMTJF-UHFFFAOYSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane (CID 87174103) is (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane is Fc1ccccc1P(=S)(S)N1CCCCC1.
What is the InChIKey of (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is ZBWZCZKOINMTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FNPS2/c12-10-6-2-3-7-11(10)14(15,16)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,15,16).
What are the key properties of (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane?
(2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 275.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-piperidin-1-yl-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87174103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).