5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine

C19H22N2OS — CID 12734187

IUPAC5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine
SMILESc1ccc2c(c1)Oc1ncccc1C2SCCN1CCCCC1
InChIInChI=1S/C19H22N2OS/c1-4-11-21(12-5-1)13-14-23-18-15-7-2-3-9-17(15)22-19-16(18)8-6-10-20-19/h2-3,6-10,18H,1,4-5,11-14H2
InChIKeyGYMSBKPBWHXIRA-UHFFFAOYSA-N
MW326.46 g/mol
LogP4.50
Rot. Bonds4

About 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine

5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine (PubChem CID 12734187) has the molecular formula C19H22N2OS and a molecular weight of 326.46 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine
PubChem CID12734187
Molecular FormulaC19H22N2OS
Molecular Weight326.46 g/mol
Exact Mass326.15
IUPAC Name5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine
SMILESc1ccc2c(c1)Oc1ncccc1C2SCCN1CCCCC1
InChIInChI=1S/C19H22N2OS/c1-4-11-21(12-5-1)13-14-23-18-15-7-2-3-9-17(15)22-19-16(18)8-6-10-20-19/h2-3,6-10,18H,1,4-5,11-14H2
InChIKeyGYMSBKPBWHXIRA-UHFFFAOYSA-N
XLogP4.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine?
The IUPAC name of 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine (CID 12734187) is 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine.
What is the SMILES notation for 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine?
The canonical SMILES for 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine is c1ccc2c(c1)Oc1ncccc1C2SCCN1CCCCC1.
What is the InChIKey of 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine?
The InChIKey is GYMSBKPBWHXIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-4-11-21(12-5-1)13-14-23-18-15-7-2-3-9-17(15)22-19-16(18)8-6-10-20-19/h2-3,6-10,18H,1,4-5,11-14H2.
What are the key properties of 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine?
5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine has a molecular weight of 326.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethylsulfanyl)-5H-chromeno[2,3-b]pyridine is sourced from PubChem (CID 12734187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).