4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine

C15H19NO2S — CID 170341990

IUPAC4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine
SMILESCCCN1C=CC(c2cccc(S(C)(=O)=O)c2)=CC1
InChIInChI=1S/C15H19NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-8,10,12H,3,9,11H2,1-2H3
InChIKeyMXUVSSRDGTUHGO-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.71
Rot. Bonds4

About 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine

4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine (PubChem CID 170341990) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine
PubChem CID170341990
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine
SMILESCCCN1C=CC(c2cccc(S(C)(=O)=O)c2)=CC1
InChIInChI=1S/C15H19NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-8,10,12H,3,9,11H2,1-2H3
InChIKeyMXUVSSRDGTUHGO-UHFFFAOYSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylsulfonylphenyl)-1-propyl-3,6-dihydro-2H-pyridine;4-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 158119172
[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
CID 145237067
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
CID 57118843
[4-ethyl-5-(3-methylsulfonylphenyl)-1,2,4-triazol-3-yl]methanol
CID 115396642
3-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]propan-1-amine
CID 164608356
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
4-(3-methylsulfonylphenyl)-1-propylpyridin-1-ium formate
CID 126483054
4-(3-methylsulfonylphenyl)-1,2,3,6-tetrahydropyridine
CID 22397844
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
3-(3-methylsulfonylphenyl)-1-propylpiperidine
CID 22283003
2-[4-(3-methylsulfonylphenyl)pyrazol-1-yl]ethanol
CID 172649274

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine?
The IUPAC name of 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine (CID 170341990) is 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine?
The canonical SMILES for 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine is CCCN1C=CC(c2cccc(S(C)(=O)=O)c2)=CC1.
What is the InChIKey of 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine?
The InChIKey is MXUVSSRDGTUHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-8,10,12H,3,9,11H2,1-2H3.
What are the key properties of 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine?
4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine has a molecular weight of 277.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)-1-propyl-2H-pyridine is sourced from PubChem (CID 170341990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).