2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol

C11H17NOS — CID 102546908

IUPAC2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
SMILESCC(C)(C)Sc1ccc(CCO)cn1
InChIInChI=1S/C11H17NOS/c1-11(2,3)14-10-5-4-9(6-7-13)8-12-10/h4-5,8,13H,6-7H2,1-3H3
InChIKeyAHCKEVICEQKDIN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.51
Rot. Bonds3

About 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol

2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol (PubChem CID 102546908) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
PubChem CID102546908
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
SMILESCC(C)(C)Sc1ccc(CCO)cn1
InChIInChI=1S/C11H17NOS/c1-11(2,3)14-10-5-4-9(6-7-13)8-12-10/h4-5,8,13H,6-7H2,1-3H3
InChIKeyAHCKEVICEQKDIN-UHFFFAOYSA-N
XLogP2.51
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol?
The IUPAC name of 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol (CID 102546908) is 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol is CC(C)(C)Sc1ccc(CCO)cn1.
What is the InChIKey of 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol?
The InChIKey is AHCKEVICEQKDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,3)14-10-5-4-9(6-7-13)8-12-10/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol?
2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol has a molecular weight of 211.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol is sourced from PubChem (CID 102546908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).