3-ethylsulfanyl-1-methylpiperidin-4-ol

C8H17NOS — CID 146631423

IUPAC3-ethylsulfanyl-1-methylpiperidin-4-ol
SMILESCCSC1CN(C)CCC1O
InChIInChI=1S/C8H17NOS/c1-3-11-8-6-9(2)5-4-7(8)10/h7-8,10H,3-6H2,1-2H3
InChIKeyRRFKHQLGTGPOTB-UHFFFAOYSA-N
MW175.30 g/mol
LogP0.80
Rot. Bonds2

About 3-ethylsulfanyl-1-methylpiperidin-4-ol

3-ethylsulfanyl-1-methylpiperidin-4-ol (PubChem CID 146631423) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-methylpiperidin-4-ol
PubChem CID146631423
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC Name3-ethylsulfanyl-1-methylpiperidin-4-ol
SMILESCCSC1CN(C)CCC1O
InChIInChI=1S/C8H17NOS/c1-3-11-8-6-9(2)5-4-7(8)10/h7-8,10H,3-6H2,1-2H3
InChIKeyRRFKHQLGTGPOTB-UHFFFAOYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-methylpiperidin-4-ol?
The IUPAC name of 3-ethylsulfanyl-1-methylpiperidin-4-ol (CID 146631423) is 3-ethylsulfanyl-1-methylpiperidin-4-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-methylpiperidin-4-ol?
The canonical SMILES for 3-ethylsulfanyl-1-methylpiperidin-4-ol is CCSC1CN(C)CCC1O.
What is the InChIKey of 3-ethylsulfanyl-1-methylpiperidin-4-ol?
The InChIKey is RRFKHQLGTGPOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-11-8-6-9(2)5-4-7(8)10/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-methylpiperidin-4-ol?
3-ethylsulfanyl-1-methylpiperidin-4-ol has a molecular weight of 175.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-methylpiperidin-4-ol is sourced from PubChem (CID 146631423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).