4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine

C11H23NS2 — CID 167168209

IUPAC4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine
SMILESCCCSSCCN1CCC(C)CC1
InChIInChI=1S/C11H23NS2/c1-3-9-13-14-10-8-12-6-4-11(2)5-7-12/h11H,3-10H2,1-2H3
InChIKeyFBTFCPHSDCGYIK-UHFFFAOYSA-N
MW233.45 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine

4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine (PubChem CID 167168209) has the molecular formula C11H23NS2 and a molecular weight of 233.45 g/mol. Its IUPAC name is 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine
PubChem CID167168209
Molecular FormulaC11H23NS2
Molecular Weight233.45 g/mol
Exact Mass233.13
IUPAC Name4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine
SMILESCCCSSCCN1CCC(C)CC1
InChIInChI=1S/C11H23NS2/c1-3-9-13-14-10-8-12-6-4-11(2)5-7-12/h11H,3-10H2,1-2H3
InChIKeyFBTFCPHSDCGYIK-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-propyl-1-[2-(propyldisulfanyl)ethyl]piperidine
CID 156821255
2-[2-(4-methylpiperidin-1-yl)ethylsulfanyl]ethanamine
CID 39101838
4-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperidine
CID 129059218
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
1-(2-fluoroethyl)-4-methylpiperidine;propane
CID 177031790
methanesulfonic acid;4-methyl-1-propylpiperidine
CID 175583558
ethane;1-ethyl-4-methylpiperidine
CID 143737046
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
1-but-3-enyl-4-methylpiperidine
CID 88972276
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
4-[(Z)-icos-11-en-2-yl]-1-[2-[2-[4-[(Z)-icos-11-en-2-yl]piperidin-1-yl]ethyldisulfanyl]ethyl]piperidine
CID 175566716
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine (CID 167168209) is 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine is CCCSSCCN1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
The InChIKey is FBTFCPHSDCGYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS2/c1-3-9-13-14-10-8-12-6-4-11(2)5-7-12/h11H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine?
4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine has a molecular weight of 233.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(propyldisulfanyl)ethyl]piperidine is sourced from PubChem (CID 167168209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).