2-ethyl-6-methylsulfanylpiperidine

C8H17NS — CID 167153926

IUPAC2-ethyl-6-methylsulfanylpiperidine
SMILESCCC1CCCC(SC)N1
InChIInChI=1S/C8H17NS/c1-3-7-5-4-6-8(9-7)10-2/h7-9H,3-6H2,1-2H3
InChIKeyUWAKDOIGGYXYLR-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.23
Rot. Bonds2

About 2-ethyl-6-methylsulfanylpiperidine

2-ethyl-6-methylsulfanylpiperidine (PubChem CID 167153926) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 2-ethyl-6-methylsulfanylpiperidine.

Molecular Properties

Compound Name2-ethyl-6-methylsulfanylpiperidine
PubChem CID167153926
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name2-ethyl-6-methylsulfanylpiperidine
SMILESCCC1CCCC(SC)N1
InChIInChI=1S/C8H17NS/c1-3-7-5-4-6-8(9-7)10-2/h7-9H,3-6H2,1-2H3
InChIKeyUWAKDOIGGYXYLR-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methylsulfanylpiperidine?
The IUPAC name of 2-ethyl-6-methylsulfanylpiperidine (CID 167153926) is 2-ethyl-6-methylsulfanylpiperidine.
What is the SMILES notation for 2-ethyl-6-methylsulfanylpiperidine?
The canonical SMILES for 2-ethyl-6-methylsulfanylpiperidine is CCC1CCCC(SC)N1.
What is the InChIKey of 2-ethyl-6-methylsulfanylpiperidine?
The InChIKey is UWAKDOIGGYXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-7-5-4-6-8(9-7)10-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-6-methylsulfanylpiperidine?
2-ethyl-6-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methylsulfanylpiperidine is sourced from PubChem (CID 167153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).