2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

C13H16N2OS — CID 46233352

IUPAC2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc(-c2ccoc2)n1
InChIInChI=1S/C13H16N2OS/c1-15(2)7-9-17-13-5-3-4-12(14-13)11-6-8-16-10-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCAQQSLIUPHPLBK-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.00
Rot. Bonds5

About 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine

2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (PubChem CID 46233352) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
PubChem CID46233352
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine
SMILESCN(C)CCSc1cccc(-c2ccoc2)n1
InChIInChI=1S/C13H16N2OS/c1-15(2)7-9-17-13-5-3-4-12(14-13)11-6-8-16-10-11/h3-6,8,10H,7,9H2,1-2H3
InChIKeyCAQQSLIUPHPLBK-UHFFFAOYSA-N
XLogP3.00
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The IUPAC name of 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine (CID 46233352) is 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is CN(C)CCSc1cccc(-c2ccoc2)n1.
What is the InChIKey of 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
The InChIKey is CAQQSLIUPHPLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(2)7-9-17-13-5-3-4-12(14-13)11-6-8-16-10-11/h3-6,8,10H,7,9H2,1-2H3.
What are the key properties of 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine?
2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine has a molecular weight of 248.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(furan-3-yl)-2-pyridinyl]sulfanyl]-N,N-dimethylethanamine is sourced from PubChem (CID 46233352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).