1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine

C8H15NS — CID 14442222

IUPAC1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCSCC1=CCN(C)CC1
InChIInChI=1S/C8H15NS/c1-9-5-3-8(4-6-9)7-10-2/h3H,4-7H2,1-2H3
InChIKeySITCBPPOGYRPSC-UHFFFAOYSA-N
MW157.28 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine

1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine (PubChem CID 14442222) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
PubChem CID14442222
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
SMILESCSCC1=CCN(C)CC1
InChIInChI=1S/C8H15NS/c1-9-5-3-8(4-6-9)7-10-2/h3H,4-7H2,1-2H3
InChIKeySITCBPPOGYRPSC-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine 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-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine (CID 14442222) is 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine is CSCC1=CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is SITCBPPOGYRPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-9-5-3-8(4-6-9)7-10-2/h3H,4-7H2,1-2H3.
What are the key properties of 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine?
1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 157.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 14442222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).