2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride

C16H19ClN2OS — CID 12734178

IUPAC2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSC1c2ccccc2Oc2ncccc21.Cl
InChIInChI=1S/C16H18N2OS.ClH/c1-18(2)10-11-20-15-12-6-3-4-8-14(12)19-16-13(15)7-5-9-17-16;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyOFOZJHHTNBNVCZ-UHFFFAOYSA-N
MW322.86 g/mol
LogP3.99
Rot. Bonds4

About 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride

2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride (PubChem CID 12734178) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride
PubChem CID12734178
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSC1c2ccccc2Oc2ncccc21.Cl
InChIInChI=1S/C16H18N2OS.ClH/c1-18(2)10-11-20-15-12-6-3-4-8-14(12)19-16-13(15)7-5-9-17-16;/h3-9,15H,10-11H2,1-2H3;1H
InChIKeyOFOZJHHTNBNVCZ-UHFFFAOYSA-N
XLogP3.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride (CID 12734178) is 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride is CN(C)CCSC1c2ccccc2Oc2ncccc21.Cl.
What is the InChIKey of 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride?
The InChIKey is OFOZJHHTNBNVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS.ClH/c1-18(2)10-11-20-15-12-6-3-4-8-14(12)19-16-13(15)7-5-9-17-16;/h3-9,15H,10-11H2,1-2H3;1H.
What are the key properties of 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride?
2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5H-chromeno[2,3-b]pyridin-5-ylsulfanyl)-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 12734178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).