1-(5-pentylsulfanyl-2-pyridinyl)ethanol

C12H19NOS — CID 107761989

IUPAC1-(5-pentylsulfanyl-2-pyridinyl)ethanol
SMILESCCCCCSc1ccc(C(C)O)nc1
InChIInChI=1S/C12H19NOS/c1-3-4-5-8-15-11-6-7-12(10(2)14)13-9-11/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyGJSQJIYJFDSZOC-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.42
Rot. Bonds6

About 1-(5-pentylsulfanyl-2-pyridinyl)ethanol

1-(5-pentylsulfanyl-2-pyridinyl)ethanol (PubChem CID 107761989) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(5-pentylsulfanyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-pentylsulfanyl-2-pyridinyl)ethanol
PubChem CID107761989
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-(5-pentylsulfanyl-2-pyridinyl)ethanol
SMILESCCCCCSc1ccc(C(C)O)nc1
InChIInChI=1S/C12H19NOS/c1-3-4-5-8-15-11-6-7-12(10(2)14)13-9-11/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyGJSQJIYJFDSZOC-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-pentylsulfanyl-2-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

(1S)-1-(5-propylsulfanyl-2-pyridinyl)ethanol
CID 83128388
(1S)-1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83129720
1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
CID 83128205
1-(5-pentylsulfanyl-2-pyridinyl)ethanone
CID 107750438
(1R)-1-(5-butan-2-ylsulfanyl-2-pyridinyl)ethanol
CID 83129606
(1S)-1-[5-[(3,5-dimethylphenyl)methylsulfanyl]-2-pyridinyl]ethanol
CID 83129531
(1R)-1-(6-pentylsulfanyl-3-pyridinyl)ethanol
CID 107761980
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
3-[[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]sulfanyl]butan-2-ol
CID 107772342
2-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]sulfanyl]ethanol
CID 83124142
6-[4-(1-hydroxyethyl)phenyl]sulfanylhexan-1-ol
CID 107707278
(1S)-1-(5-benzylsulfanyl-2-pyridinyl)propan-1-ol
CID 113355448

Frequently Asked Questions

What is the IUPAC name of 1-(5-pentylsulfanyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(5-pentylsulfanyl-2-pyridinyl)ethanol (CID 107761989) is 1-(5-pentylsulfanyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-pentylsulfanyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(5-pentylsulfanyl-2-pyridinyl)ethanol is CCCCCSc1ccc(C(C)O)nc1.
What is the InChIKey of 1-(5-pentylsulfanyl-2-pyridinyl)ethanol?
The InChIKey is GJSQJIYJFDSZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-3-4-5-8-15-11-6-7-12(10(2)14)13-9-11/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of 1-(5-pentylsulfanyl-2-pyridinyl)ethanol?
1-(5-pentylsulfanyl-2-pyridinyl)ethanol has a molecular weight of 225.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentylsulfanyl-2-pyridinyl)ethanol is sourced from PubChem (CID 107761989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).