1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine

C10H17NS — CID 89197925

IUPAC1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC/C=C/C1=C(SC)CCN(C)C1
InChIInChI=1S/C10H17NS/c1-4-5-9-8-11(2)7-6-10(9)12-3/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyKGCLWLMERKDIHZ-SNAWJCMRSA-N
MW183.32 g/mol
LogP2.52
Rot. Bonds2

About 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine

1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine (PubChem CID 89197925) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
PubChem CID89197925
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine
SMILESC/C=C/C1=C(SC)CCN(C)C1
InChIInChI=1S/C10H17NS/c1-4-5-9-8-11(2)7-6-10(9)12-3/h4-5H,6-8H2,1-3H3/b5-4+
InChIKeyKGCLWLMERKDIHZ-SNAWJCMRSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-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-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine (CID 89197925) is 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine is C/C=C/C1=C(SC)CCN(C)C1.
What is the InChIKey of 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine?
The InChIKey is KGCLWLMERKDIHZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-5-9-8-11(2)7-6-10(9)12-3/h4-5H,6-8H2,1-3H3/b5-4+.
What are the key properties of 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine?
1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine has a molecular weight of 183.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfanyl-5-[(E)-prop-1-enyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 89197925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).