5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine

C24H33NS — CID 5031623

IUPAC5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CSC)cn3)cc2)CC1
InChIInChI=1S/C24H33NS/c1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)24-16-9-20(17-25-24)18-26-2/h9,12-17,19,21H,3-8,10-11,18H2,1-2H3
InChIKeyQRUIAZDWGMWEKN-UHFFFAOYSA-N
MW367.60 g/mol
LogP7.47
Rot. Bonds8

About 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine

5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine (PubChem CID 5031623) has the molecular formula C24H33NS and a molecular weight of 367.60 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
PubChem CID5031623
Molecular FormulaC24H33NS
Molecular Weight367.60 g/mol
Exact Mass367.23
IUPAC Name5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine
SMILESCCCCCC1CCC(c2ccc(-c3ccc(CSC)cn3)cc2)CC1
InChIInChI=1S/C24H33NS/c1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)24-16-9-20(17-25-24)18-26-2/h9,12-17,19,21H,3-8,10-11,18H2,1-2H3
InChIKeyQRUIAZDWGMWEKN-UHFFFAOYSA-N
XLogP7.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.60
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
6-[4-(4-hexylcyclohexyl)phenyl]pyridine-3-carbonitrile
CID 139631031
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The IUPAC name of 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine (CID 5031623) is 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine.
What is the SMILES notation for 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The canonical SMILES for 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine is CCCCCC1CCC(c2ccc(-c3ccc(CSC)cn3)cc2)CC1.
What is the InChIKey of 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine?
The InChIKey is QRUIAZDWGMWEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NS/c1-3-4-5-6-19-7-10-21(11-8-19)22-12-14-23(15-13-22)24-16-9-20(17-25-24)18-26-2/h9,12-17,19,21H,3-8,10-11,18H2,1-2H3.
What are the key properties of 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine?
5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine has a molecular weight of 367.60 g/mol, XLogP of 7.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyridine is sourced from PubChem (CID 5031623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).