1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol

C11H18N2OS — CID 83128205

IUPAC1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyIABHQTTUHWMONR-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.79
Rot. Bonds5

About 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol

1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol (PubChem CID 83128205) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
PubChem CID83128205
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol
SMILESCC(O)c1ccc(SCCN(C)C)cn1
InChIInChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyIABHQTTUHWMONR-UHFFFAOYSA-N
XLogP1.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The IUPAC name of 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol (CID 83128205) is 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol.
What is the SMILES notation for 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The canonical SMILES for 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol is CC(O)c1ccc(SCCN(C)C)cn1.
What is the InChIKey of 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
The InChIKey is IABHQTTUHWMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9(14)11-5-4-10(8-12-11)15-7-6-13(2)3/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol?
1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol has a molecular weight of 226.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(dimethylamino)ethylsulfanyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 83128205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).