4-ethyl-4-methylsulfanylpiperidine

C8H17NS — CID 148783582

IUPAC4-ethyl-4-methylsulfanylpiperidine
SMILESCCC1(SC)CCNCC1
InChIInChI=1S/C8H17NS/c1-3-8(10-2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKeyOKUBQLSZQHVNGM-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.88
Rot. Bonds2

About 4-ethyl-4-methylsulfanylpiperidine

4-ethyl-4-methylsulfanylpiperidine (PubChem CID 148783582) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 4-ethyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name4-ethyl-4-methylsulfanylpiperidine
PubChem CID148783582
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name4-ethyl-4-methylsulfanylpiperidine
SMILESCCC1(SC)CCNCC1
InChIInChI=1S/C8H17NS/c1-3-8(10-2)4-6-9-7-5-8/h9H,3-7H2,1-2H3
InChIKeyOKUBQLSZQHVNGM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylsulfanylpiperidine?
The IUPAC name of 4-ethyl-4-methylsulfanylpiperidine (CID 148783582) is 4-ethyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 4-ethyl-4-methylsulfanylpiperidine?
The canonical SMILES for 4-ethyl-4-methylsulfanylpiperidine is CCC1(SC)CCNCC1.
What is the InChIKey of 4-ethyl-4-methylsulfanylpiperidine?
The InChIKey is OKUBQLSZQHVNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8(10-2)4-6-9-7-5-8/h9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-4-methylsulfanylpiperidine?
4-ethyl-4-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 148783582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).