7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine

C10H15NOS — CID 165470097

IUPAC7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
SMILESCSCCC1NCCc2ccoc21
InChIInChI=1S/C10H15NOS/c1-13-7-4-9-10-8(2-5-11-9)3-6-12-10/h3,6,9,11H,2,4-5,7H2,1H3
InChIKeyBSHREKRDLXFERT-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.22
Rot. Bonds3

About 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine

7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine (PubChem CID 165470097) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
PubChem CID165470097
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine
SMILESCSCCC1NCCc2ccoc21
InChIInChI=1S/C10H15NOS/c1-13-7-4-9-10-8(2-5-11-9)3-6-12-10/h3,6,9,11H,2,4-5,7H2,1H3
InChIKeyBSHREKRDLXFERT-UHFFFAOYSA-N
XLogP2.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The IUPAC name of 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine (CID 165470097) is 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine.
What is the SMILES notation for 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The canonical SMILES for 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine is CSCCC1NCCc2ccoc21.
What is the InChIKey of 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
The InChIKey is BSHREKRDLXFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-13-7-4-9-10-8(2-5-11-9)3-6-12-10/h3,6,9,11H,2,4-5,7H2,1H3.
What are the key properties of 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine?
7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine has a molecular weight of 197.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylsulfanylethyl)-4,5,6,7-tetrahydrofuro[2,3-c]pyridine is sourced from PubChem (CID 165470097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).