3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine

C14H27NS — CID 67493957

IUPAC3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CSCCCCC)C1
InChIInChI=1S/C14H27NS/c1-3-5-6-11-16-13-14-8-7-10-15(12-14)9-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyLFZPECJFRRDWFA-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.81
Rot. Bonds8

About 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine

3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine (PubChem CID 67493957) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
PubChem CID67493957
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCCC(CSCCCCC)C1
InChIInChI=1S/C14H27NS/c1-3-5-6-11-16-13-14-8-7-10-15(12-14)9-4-2/h4,14H,2-3,5-13H2,1H3
InChIKeyLFZPECJFRRDWFA-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine 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 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The IUPAC name of 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine (CID 67493957) is 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The canonical SMILES for 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine is C=CCN1CCCC(CSCCCCC)C1.
What is the InChIKey of 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
The InChIKey is LFZPECJFRRDWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-3-5-6-11-16-13-14-8-7-10-15(12-14)9-4-2/h4,14H,2-3,5-13H2,1H3.
What are the key properties of 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine?
3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine has a molecular weight of 241.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pentylsulfanylmethyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 67493957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).