methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine

C12H19NO2S — CID 142801955

IUPACmethanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine
SMILESCC1CCC(CSc2ccccn2)O1.CO
InChIInChI=1S/C11H15NOS.CH4O/c1-9-5-6-10(13-9)8-14-11-4-2-3-7-12-11;1-2/h2-4,7,9-10H,5-6,8H2,1H3;2H,1H3
InChIKeyXAKSBAUXESEUHD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.35
Rot. Bonds3

About methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine

methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine (PubChem CID 142801955) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine.

Molecular Properties

Compound Namemethanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine
PubChem CID142801955
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Namemethanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine
SMILESCC1CCC(CSc2ccccn2)O1.CO
InChIInChI=1S/C11H15NOS.CH4O/c1-9-5-6-10(13-9)8-14-11-4-2-3-7-12-11;1-2/h2-4,7,9-10H,5-6,8H2,1H3;2H,1H3
InChIKeyXAKSBAUXESEUHD-UHFFFAOYSA-N
XLogP2.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine?
The IUPAC name of methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine (CID 142801955) is methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine.
What is the SMILES notation for methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine?
The canonical SMILES for methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine is CC1CCC(CSc2ccccn2)O1.CO.
What is the InChIKey of methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine?
The InChIKey is XAKSBAUXESEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS.CH4O/c1-9-5-6-10(13-9)8-14-11-4-2-3-7-12-11;1-2/h2-4,7,9-10H,5-6,8H2,1H3;2H,1H3.
What are the key properties of methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine?
methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine has a molecular weight of 241.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[(5-methyloxolan-2-yl)methylsulfanyl]pyridine is sourced from PubChem (CID 142801955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).