1-Ethyl-3-methylsulfanylpiperidin-4-ol

C8H17NOS — CID 154967882

IUPAC1-ethyl-3-methylsulfanylpiperidin-4-ol
SMILESCCN1CCC(C(C1)SC)O
InChIInChI=1S/C8H17NOS/c1-3-9-5-4-7(10)8(6-9)11-2/h7-8,10H,3-6H2,1-2H3
InChIKeyZHUXYJBARODPKE-UHFFFAOYSA-N
MW175.29 g/mol
LogP0.90
Rot. Bonds2

About 1-Ethyl-3-methylsulfanylpiperidin-4-ol

1-Ethyl-3-methylsulfanylpiperidin-4-ol (PubChem CID 154967882) has the molecular formula C8H17NOS and a molecular weight of 175.29 g/mol. Its IUPAC name is 1-ethyl-3-methylsulfanylpiperidin-4-ol.

Molecular Properties

Compound Name1-Ethyl-3-methylsulfanylpiperidin-4-ol
PubChem CID154967882
Molecular FormulaC8H17NOS
Molecular Weight175.29 g/mol
Exact Mass175.10
IUPAC Name1-ethyl-3-methylsulfanylpiperidin-4-ol
SMILESCCN1CCC(C(C1)SC)O
InChIInChI=1S/C8H17NOS/c1-3-9-5-4-7(10)8(6-9)11-2/h7-8,10H,3-6H2,1-2H3
InChIKeyZHUXYJBARODPKE-UHFFFAOYSA-N
XLogP0.90
TPSA48.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity121

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-Ethyl-3-methylsulfanylpiperidin-4-ol?
The IUPAC name of 1-Ethyl-3-methylsulfanylpiperidin-4-ol (CID 154967882) is 1-ethyl-3-methylsulfanylpiperidin-4-ol.
What is the SMILES notation for 1-Ethyl-3-methylsulfanylpiperidin-4-ol?
The canonical SMILES for 1-Ethyl-3-methylsulfanylpiperidin-4-ol is CCN1CCC(C(C1)SC)O.
What is the InChIKey of 1-Ethyl-3-methylsulfanylpiperidin-4-ol?
The InChIKey is ZHUXYJBARODPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-9-5-4-7(10)8(6-9)11-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-Ethyl-3-methylsulfanylpiperidin-4-ol?
1-Ethyl-3-methylsulfanylpiperidin-4-ol has a molecular weight of 175.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Ethyl-3-methylsulfanylpiperidin-4-ol is sourced from PubChem (CID 154967882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).