3-ethylsulfanyl-1-methylpiperidine

C8H17NS — CID 15063101

IUPAC3-ethylsulfanyl-1-methylpiperidine
SMILESCCSC1CCCN(C)C1
InChIInChI=1S/C8H17NS/c1-3-10-8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyXMIAILATQZLAOX-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds2

About 3-ethylsulfanyl-1-methylpiperidine

3-ethylsulfanyl-1-methylpiperidine (PubChem CID 15063101) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-methylpiperidine.

Molecular Properties

Compound Name3-ethylsulfanyl-1-methylpiperidine
PubChem CID15063101
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name3-ethylsulfanyl-1-methylpiperidine
SMILESCCSC1CCCN(C)C1
InChIInChI=1S/C8H17NS/c1-3-10-8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3
InChIKeyXMIAILATQZLAOX-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 3-ethylsulfanyl-1-methylpiperidine?
The IUPAC name of 3-ethylsulfanyl-1-methylpiperidine (CID 15063101) is 3-ethylsulfanyl-1-methylpiperidine.
What is the SMILES notation for 3-ethylsulfanyl-1-methylpiperidine?
The canonical SMILES for 3-ethylsulfanyl-1-methylpiperidine is CCSC1CCCN(C)C1.
What is the InChIKey of 3-ethylsulfanyl-1-methylpiperidine?
The InChIKey is XMIAILATQZLAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-10-8-5-4-6-9(2)7-8/h8H,3-7H2,1-2H3.
What are the key properties of 3-ethylsulfanyl-1-methylpiperidine?
3-ethylsulfanyl-1-methylpiperidine 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 3-ethylsulfanyl-1-methylpiperidine is sourced from PubChem (CID 15063101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).