2-(1-phenylbutylsulfanyl)pyridine

C15H17NS — CID 22764663

IUPAC2-(1-phenylbutylsulfanyl)pyridine
SMILESCCCC(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C15H17NS/c1-2-8-14(13-9-4-3-5-10-13)17-15-11-6-7-12-16-15/h3-7,9-12,14H,2,8H2,1H3
InChIKeyUVVHSNYECFZREI-UHFFFAOYSA-N
MW243.38 g/mol
LogP4.72
Rot. Bonds5

About 2-(1-phenylbutylsulfanyl)pyridine

2-(1-phenylbutylsulfanyl)pyridine (PubChem CID 22764663) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is 2-(1-phenylbutylsulfanyl)pyridine.

Molecular Properties

Compound Name2-(1-phenylbutylsulfanyl)pyridine
PubChem CID22764663
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name2-(1-phenylbutylsulfanyl)pyridine
SMILESCCCC(Sc1ccccn1)c1ccccc1
InChIInChI=1S/C15H17NS/c1-2-8-14(13-9-4-3-5-10-13)17-15-11-6-7-12-16-15/h3-7,9-12,14H,2,8H2,1H3
InChIKeyUVVHSNYECFZREI-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
2-pyridin-2-ylsulfanylpentanamide;hydrochloride
CID 21127939
2-(pyridin-2-yldisulfanyl)pentanoic acid
CID 87433027
N-(2-pyridin-2-ylsulfanylethyl)pentan-2-amine
CID 62578356
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
CID 102509250
2-phenyl-2-pyridin-2-ylsulfanylacetic acid
CID 18073234
N-butyl-2-pyridin-2-ylsulfanylpentanamide
CID 14921565
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
2-(3-chlorophenyl)-2-pyridin-2-ylsulfanylethanamine
CID 55020002
N-ethyl-N-(pyridin-2-ylsulfanylmethyl)ethanamine
CID 12657317
3-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61261842
4-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61263896

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutylsulfanyl)pyridine?
The IUPAC name of 2-(1-phenylbutylsulfanyl)pyridine (CID 22764663) is 2-(1-phenylbutylsulfanyl)pyridine.
What is the SMILES notation for 2-(1-phenylbutylsulfanyl)pyridine?
The canonical SMILES for 2-(1-phenylbutylsulfanyl)pyridine is CCCC(Sc1ccccn1)c1ccccc1.
What is the InChIKey of 2-(1-phenylbutylsulfanyl)pyridine?
The InChIKey is UVVHSNYECFZREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-8-14(13-9-4-3-5-10-13)17-15-11-6-7-12-16-15/h3-7,9-12,14H,2,8H2,1H3.
What are the key properties of 2-(1-phenylbutylsulfanyl)pyridine?
2-(1-phenylbutylsulfanyl)pyridine has a molecular weight of 243.38 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutylsulfanyl)pyridine is sourced from PubChem (CID 22764663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).