2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine

C18H17NOS — CID 2185331

IUPAC2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine
SMILESc1ccc(SCCCOc2cccc3ccccc23)nc1
InChIInChI=1S/C18H17NOS/c1-2-9-16-15(7-1)8-5-10-17(16)20-13-6-14-21-18-11-3-4-12-19-18/h1-5,7-12H,6,13-14H2
InChIKeyVRRISQAPZLIWTQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.80
Rot. Bonds6

About 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine

2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine (PubChem CID 2185331) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine
PubChem CID2185331
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine
SMILESc1ccc(SCCCOc2cccc3ccccc23)nc1
InChIInChI=1S/C18H17NOS/c1-2-9-16-15(7-1)8-5-10-17(16)20-13-6-14-21-18-11-3-4-12-19-18/h1-5,7-12H,6,13-14H2
InChIKeyVRRISQAPZLIWTQ-UHFFFAOYSA-N
XLogP4.80
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine 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-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
CID 142063341
5-(3-naphthalen-1-yloxypropylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 71889321
1-(3-chloropropoxy)naphthalene
CID 12685615
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
1-(3-phenylsulfanylpropoxy)anthracene
CID 158373238
1-butoxynaphthalene
CID 13262700
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
2-(3-pyrazin-2-ylsulfanylpropoxy)aniline
CID 63380985
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine?
The IUPAC name of 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine (CID 2185331) is 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine.
What is the SMILES notation for 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine?
The canonical SMILES for 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine is c1ccc(SCCCOc2cccc3ccccc23)nc1.
What is the InChIKey of 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine?
The InChIKey is VRRISQAPZLIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-2-9-16-15(7-1)8-5-10-17(16)20-13-6-14-21-18-11-3-4-12-19-18/h1-5,7-12H,6,13-14H2.
What are the key properties of 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine?
2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine has a molecular weight of 295.41 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine is sourced from PubChem (CID 2185331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).