1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine

C13H27NOS — CID 71536548

IUPAC1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine
SMILESCCCC(CSCC)OCN1CCCCC1
InChIInChI=1S/C13H27NOS/c1-3-8-13(11-16-4-2)15-12-14-9-6-5-7-10-14/h13H,3-12H2,1-2H3
InChIKeyNNBFJJKRRYWINW-UHFFFAOYSA-N
MW245.43 g/mol
LogP3.37
Rot. Bonds8

About 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine

1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine (PubChem CID 71536548) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine.

Molecular Properties

Compound Name1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine
PubChem CID71536548
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine
SMILESCCCC(CSCC)OCN1CCCCC1
InChIInChI=1S/C13H27NOS/c1-3-8-13(11-16-4-2)15-12-14-9-6-5-7-10-14/h13H,3-12H2,1-2H3
InChIKeyNNBFJJKRRYWINW-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine?
The IUPAC name of 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine (CID 71536548) is 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine.
What is the SMILES notation for 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine?
The canonical SMILES for 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine is CCCC(CSCC)OCN1CCCCC1.
What is the InChIKey of 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine?
The InChIKey is NNBFJJKRRYWINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-3-8-13(11-16-4-2)15-12-14-9-6-5-7-10-14/h13H,3-12H2,1-2H3.
What are the key properties of 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine?
1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine has a molecular weight of 245.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylpentan-2-yloxymethyl)piperidine is sourced from PubChem (CID 71536548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).