3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine

C10H19NS — CID 134244005

IUPAC3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine
SMILESCSC1C(=C(C)C)CNCC1C
InChIInChI=1S/C10H19NS/c1-7(2)9-6-11-5-8(3)10(9)12-4/h8,10-11H,5-6H2,1-4H3
InChIKeyRBZKEJRRLKXXBQ-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.29
Rot. Bonds1

About 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine

3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine (PubChem CID 134244005) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine.

Molecular Properties

Compound Name3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine
PubChem CID134244005
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine
SMILESCSC1C(=C(C)C)CNCC1C
InChIInChI=1S/C10H19NS/c1-7(2)9-6-11-5-8(3)10(9)12-4/h8,10-11H,5-6H2,1-4H3
InChIKeyRBZKEJRRLKXXBQ-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine 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-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine?
The IUPAC name of 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine (CID 134244005) is 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine.
What is the SMILES notation for 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine?
The canonical SMILES for 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine is CSC1C(=C(C)C)CNCC1C.
What is the InChIKey of 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine?
The InChIKey is RBZKEJRRLKXXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-7(2)9-6-11-5-8(3)10(9)12-4/h8,10-11H,5-6H2,1-4H3.
What are the key properties of 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine?
3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine has a molecular weight of 185.34 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanyl-5-propan-2-ylidenepiperidine is sourced from PubChem (CID 134244005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).