2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine

C16H20N2OS2 — CID 142063341

IUPAC2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
SMILESc1ccc(SCCCOCCCSc2ccccn2)nc1
InChIInChI=1S/C16H20N2OS2/c1-3-9-17-15(7-1)20-13-5-11-19-12-6-14-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2
InChIKeyMAJZBLRHYTVLAO-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.16
Rot. Bonds10

About 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine

2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine (PubChem CID 142063341) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine.

Molecular Properties

Compound Name2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
PubChem CID142063341
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine
SMILESc1ccc(SCCCOCCCSc2ccccn2)nc1
InChIInChI=1S/C16H20N2OS2/c1-3-9-17-15(7-1)20-13-5-11-19-12-6-14-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2
InChIKeyMAJZBLRHYTVLAO-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyridin-2-ylsulfanylethoxy)ethanamine;hydrochloride
CID 86262476
2-(3-naphthalen-1-yloxypropylsulfanyl)pyridine
CID 2185331
6-pyridin-2-ylsulfanylhexan-1-amine
CID 15227692
oxo(3-pyridin-2-ylsulfanylpropyl)phosphanium
CID 175332241
2-[3-(3-pyridin-2-ylsulfanylpropylsulfinyl)propylsulfanyl]pyridine
CID 56616691
2-[4-(4-pyridin-2-ylsulfanylbutylsulfonyl)butylsulfanyl]pyridine
CID 56631475
N-methyl-4-pyridin-2-ylsulfanylbutan-1-amine
CID 62578791
5-pyridin-2-ylsulfanylpentanenitrile
CID 19843929
2-pyridin-2-ylsulfanylethyl hydrogen carbonate
CID 138511771
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
2-[3-(2H-tetrazol-5-ylsulfanyl)propylsulfanyl]pyridine
CID 151884839
ethyl 4-pyridin-2-ylsulfanylbutanoate
CID 66684876

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine?
The IUPAC name of 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine (CID 142063341) is 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine.
What is the SMILES notation for 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine?
The canonical SMILES for 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine is c1ccc(SCCCOCCCSc2ccccn2)nc1.
What is the InChIKey of 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine?
The InChIKey is MAJZBLRHYTVLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-3-9-17-15(7-1)20-13-5-11-19-12-6-14-21-16-8-2-4-10-18-16/h1-4,7-10H,5-6,11-14H2.
What are the key properties of 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine?
2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine has a molecular weight of 320.48 g/mol, XLogP of 4.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-pyridin-2-ylsulfanylpropoxy)propylsulfanyl]pyridine is sourced from PubChem (CID 142063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).