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

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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).