2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol

C13H18FNOS — CID 65139697

IUPAC2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CSC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C13H18FNOS/c14-11-6-10(7-15-8-11)13(16)9-17-12-4-2-1-3-5-12/h6-8,12-13,16H,1-5,9H2
InChIKeyRAGZRWMQNBMCEY-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.32
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol

2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 65139697) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID65139697
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CSC1CCCCC1)c1cncc(F)c1
InChIInChI=1S/C13H18FNOS/c14-11-6-10(7-15-8-11)13(16)9-17-12-4-2-1-3-5-12/h6-8,12-13,16H,1-5,9H2
InChIKeyRAGZRWMQNBMCEY-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 65144532
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 130667464
2-cyclopentylsulfanyl-1-(6-methyl-3-pyridinyl)ethanol
CID 65139338
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
2-cyclopentylsulfanyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 107288481
1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
2-cyclopentylsulfanyl-1-(4-fluoro-2-methylphenyl)ethanol
CID 65138964

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol (CID 65139697) is 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol is OC(CSC1CCCCC1)c1cncc(F)c1.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is RAGZRWMQNBMCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c14-11-6-10(7-15-8-11)13(16)9-17-12-4-2-1-3-5-12/h6-8,12-13,16H,1-5,9H2.
What are the key properties of 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol?
2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 255.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 65139697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).