2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol

C11H17NO2S — CID 75503038

IUPAC2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol
SMILESCCOc1cccc(CSC(C)CO)n1
InChIInChI=1S/C11H17NO2S/c1-3-14-11-6-4-5-10(12-11)8-15-9(2)7-13/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHHEDEAIDWVXIDA-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.09
Rot. Bonds6

About 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol

2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol (PubChem CID 75503038) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol
PubChem CID75503038
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol
SMILESCCOc1cccc(CSC(C)CO)n1
InChIInChI=1S/C11H17NO2S/c1-3-14-11-6-4-5-10(12-11)8-15-9(2)7-13/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyHHEDEAIDWVXIDA-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol (CID 75503038) is 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol is CCOc1cccc(CSC(C)CO)n1.
What is the InChIKey of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol?
The InChIKey is HHEDEAIDWVXIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-14-11-6-4-5-10(12-11)8-15-9(2)7-13/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol?
2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol has a molecular weight of 227.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-pyridinyl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 75503038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).