(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

C14H14FNOS — CID 113355452

IUPAC(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1
InChIKeyDARWFFHBLAWODU-AWEZNQCLSA-N
MW263.34 g/mol
LogP3.82
Rot. Bonds4

About (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol

(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (PubChem CID 113355452) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
PubChem CID113355452
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
SMILESCC[C@H](O)c1ccc(Sc2ccc(F)cc2)cn1
InChIInChI=1S/C14H14FNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1
InChIKeyDARWFFHBLAWODU-AWEZNQCLSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol 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 (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The IUPAC name of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol (CID 113355452) is (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is CC[C@H](O)c1ccc(Sc2ccc(F)cc2)cn1.
What is the InChIKey of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
The InChIKey is DARWFFHBLAWODU-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-2-14(17)13-8-7-12(9-16-13)18-11-5-3-10(15)4-6-11/h3-9,14,17H,2H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol?
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).