2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine

C21H21NS — CID 59192525

IUPAC2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cccc(-c2ccc(SCc3ccccc3)nc2)c1
InChIInChI=1S/C21H21NS/c1-16(2)18-9-6-10-19(13-18)20-11-12-21(22-14-20)23-15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3
InChIKeyCGVZZPVHMHDIMS-UHFFFAOYSA-N
MW319.47 g/mol
LogP6.16
Rot. Bonds5

About 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine

2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine (PubChem CID 59192525) has the molecular formula C21H21NS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
PubChem CID59192525
Molecular FormulaC21H21NS
Molecular Weight319.47 g/mol
Exact Mass319.14
IUPAC Name2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine
SMILESCC(C)c1cccc(-c2ccc(SCc3ccccc3)nc2)c1
InChIInChI=1S/C21H21NS/c1-16(2)18-9-6-10-19(13-18)20-11-12-21(22-14-20)23-15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3
InChIKeyCGVZZPVHMHDIMS-UHFFFAOYSA-N
XLogP6.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-benzylsulfanyl-3-pyridinyl)propan-2-amine
CID 80651207
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 86681796
(1S)-1-(6-benzylsulfanyl-3-pyridinyl)propan-1-amine
CID 124502892
5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 123211569
1-(6-benzylsulfanyl-4-methyl-3-pyridinyl)ethanamine
CID 102545480
2-(6-benzylsulfanyl-3-pyridinyl)ethanol
CID 102546728
N-[[3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 22391380
N-[(6-benzylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80640209
N-hydroxy-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide;N-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)-5-(3-propan-2-ylphenyl)pyridine-2-carboxamide
CID 158460534
2-benzylsulfanyl-5-methylpyridin-4-amine
CID 83269253
2-benzylsulfanyl-5-bromo-4-methylpyridine
CID 99717832

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine?
The IUPAC name of 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine (CID 59192525) is 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine.
What is the SMILES notation for 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine?
The canonical SMILES for 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine is CC(C)c1cccc(-c2ccc(SCc3ccccc3)nc2)c1.
What is the InChIKey of 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine?
The InChIKey is CGVZZPVHMHDIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NS/c1-16(2)18-9-6-10-19(13-18)20-11-12-21(22-14-20)23-15-17-7-4-3-5-8-17/h3-14,16H,15H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine?
2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine has a molecular weight of 319.47 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(3-propan-2-ylphenyl)pyridine is sourced from PubChem (CID 59192525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).