1-[(E)-4-methylsulfanylbut-3-enyl]piperidine

C10H19NS — CID 22969353

IUPAC1-[(E)-4-methylsulfanylbut-3-enyl]piperidine
SMILESCS/C=C/CCN1CCCCC1
InChIInChI=1S/C10H19NS/c1-12-10-6-5-9-11-7-3-2-4-8-11/h6,10H,2-5,7-9H2,1H3/b10-6+
InChIKeyHTKRZHJOBWMJPZ-UXBLZVDNSA-N
MW185.34 g/mol
LogP2.74
Rot. Bonds4

About 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine

1-[(E)-4-methylsulfanylbut-3-enyl]piperidine (PubChem CID 22969353) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-methylsulfanylbut-3-enyl]piperidine
PubChem CID22969353
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name1-[(E)-4-methylsulfanylbut-3-enyl]piperidine
SMILESCS/C=C/CCN1CCCCC1
InChIInChI=1S/C10H19NS/c1-12-10-6-5-9-11-7-3-2-4-8-11/h6,10H,2-5,7-9H2,1H3/b10-6+
InChIKeyHTKRZHJOBWMJPZ-UXBLZVDNSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-4-methylsulfanylbut-3-enyl]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-[(E)-4-methylsulfanylbut-3-enyl]piperidine?
The IUPAC name of 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine (CID 22969353) is 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine.
What is the SMILES notation for 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine?
The canonical SMILES for 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine is CS/C=C/CCN1CCCCC1.
What is the InChIKey of 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine?
The InChIKey is HTKRZHJOBWMJPZ-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-10-6-5-9-11-7-3-2-4-8-11/h6,10H,2-5,7-9H2,1H3/b10-6+.
What are the key properties of 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine?
1-[(E)-4-methylsulfanylbut-3-enyl]piperidine has a molecular weight of 185.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-methylsulfanylbut-3-enyl]piperidine is sourced from PubChem (CID 22969353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).