6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C15H15NO3S — CID 514901

IUPAC6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)(=O)c1cnc2c(c1)CCC(c1ccccc1)O2
InChIInChI=1S/C15H15NO3S/c1-20(17,18)13-9-12-7-8-14(19-15(12)16-10-13)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3
InChIKeyAWCZUACANNUUIL-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.55
Rot. Bonds2

About 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514901) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514901
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)(=O)c1cnc2c(c1)CCC(c1ccccc1)O2
InChIInChI=1S/C15H15NO3S/c1-20(17,18)13-9-12-7-8-14(19-15(12)16-10-13)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3
InChIKeyAWCZUACANNUUIL-UHFFFAOYSA-N
XLogP2.55
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Mdl 20610
CID 128209
2H-Pyrano(2,3-b)pyridine, 2-(3,4-dichlorophenyl)-3,4-dihydro-6-(methylsulfinyl)-
CID 514902
2-Methoxy-5-[5-(4-methylsulfonylphenyl)-3-pyridyl]pyridine
CID 72711194
2H-Pyrano(2,3-b)pyridine, 2-(4-chlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-
CID 514903
2-(3,4-Dichlorophenyl)-3,4-dihydro-6-(methylthio)-2h-pyrano[2,3-b]pyridine
CID 514906
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-propan-2-ol
CID 15887860
1-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxymethyl]-cyclopentanol
CID 15887862
(S)-3-[3-(4-Methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-2-methyl-butan-2-ol
CID 15887864
(S)-3-Ethyl-2-[3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridin-2-yloxy]-pentan-3-ol
CID 15887866
2H-Pyrano(2,3-b)pyridine, 6-(butylthio)-2-(3,4-dichlorophenyl)-3,4-dihydro-
CID 514905
3-(4-Methylsulfonylphenyl)-2-phenoxy-5-(trifluoromethyl)pyridine
CID 44292803
3-(4-Methanesulfonyl-phenyl)-2-(2,2,2-trifluoro-ethoxy)-5-trifluoromethyl-pyridine
CID 44293185

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514901) is 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CS(=O)(=O)c1cnc2c(c1)CCC(c1ccccc1)O2.
What is the InChIKey of 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is AWCZUACANNUUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-20(17,18)13-9-12-7-8-14(19-15(12)16-10-13)11-5-3-2-4-6-11/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 289.36 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).