2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol

C11H16N2O2S — CID 43617394

IUPAC2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
SMILESNc1ccc(SCCO)nc1OCC1CC1
InChIInChI=1S/C11H16N2O2S/c12-9-3-4-10(16-6-5-14)13-11(9)15-7-8-1-2-8/h3-4,8,14H,1-2,5-7,12H2
InChIKeyRRGRTLIZLBOHRV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.54
Rot. Bonds6

About 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol

2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol (PubChem CID 43617394) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
PubChem CID43617394
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol
SMILESNc1ccc(SCCO)nc1OCC1CC1
InChIInChI=1S/C11H16N2O2S/c12-9-3-4-10(16-6-5-14)13-11(9)15-7-8-1-2-8/h3-4,8,14H,1-2,5-7,12H2
InChIKeyRRGRTLIZLBOHRV-UHFFFAOYSA-N
XLogP1.54
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol (CID 43617394) is 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol is Nc1ccc(SCCO)nc1OCC1CC1.
What is the InChIKey of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol?
The InChIKey is RRGRTLIZLBOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-9-3-4-10(16-6-5-14)13-11(9)15-7-8-1-2-8/h3-4,8,14H,1-2,5-7,12H2.
What are the key properties of 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol?
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol has a molecular weight of 240.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]sulfanyl]ethanol is sourced from PubChem (CID 43617394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).