1-ethyl-4-methylsulfanylpiperidine

C8H17NS — CID 123713801

IUPAC1-ethyl-4-methylsulfanylpiperidine
SMILESCCN1CCC(SC)CC1
InChIInChI=1S/C8H17NS/c1-3-9-6-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyPPTGCSSPWNBWCE-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About 1-ethyl-4-methylsulfanylpiperidine

1-ethyl-4-methylsulfanylpiperidine (PubChem CID 123713801) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 1-ethyl-4-methylsulfanylpiperidine.

Molecular Properties

Compound Name1-ethyl-4-methylsulfanylpiperidine
PubChem CID123713801
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name1-ethyl-4-methylsulfanylpiperidine
SMILESCCN1CCC(SC)CC1
InChIInChI=1S/C8H17NS/c1-3-9-6-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3
InChIKeyPPTGCSSPWNBWCE-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methylsulfanylpiperidine?
The IUPAC name of 1-ethyl-4-methylsulfanylpiperidine (CID 123713801) is 1-ethyl-4-methylsulfanylpiperidine.
What is the SMILES notation for 1-ethyl-4-methylsulfanylpiperidine?
The canonical SMILES for 1-ethyl-4-methylsulfanylpiperidine is CCN1CCC(SC)CC1.
What is the InChIKey of 1-ethyl-4-methylsulfanylpiperidine?
The InChIKey is PPTGCSSPWNBWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-9-6-4-8(10-2)5-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methylsulfanylpiperidine?
1-ethyl-4-methylsulfanylpiperidine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methylsulfanylpiperidine is sourced from PubChem (CID 123713801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).