4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine

C9H15NS — CID 143598561

IUPAC4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESC=CSC1=C(C)CN(C)CC1
InChIInChI=1S/C9H15NS/c1-4-11-9-5-6-10(3)7-8(9)2/h4H,1,5-7H2,2-3H3
InChIKeyKJXMMNGTIKGFCY-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.47
Rot. Bonds2

About 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine

4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 143598561) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID143598561
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESC=CSC1=C(C)CN(C)CC1
InChIInChI=1S/C9H15NS/c1-4-11-9-5-6-10(3)7-8(9)2/h4H,1,5-7H2,2-3H3
InChIKeyKJXMMNGTIKGFCY-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Ethylthio)methyl]-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442215
1-methyl-4-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442222
5-(ethylsulfanylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 19933889
1-methyl-4-(propylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442223
1-ethyl-4-(ethylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 14442224
1-methyl-4-(2-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442226
1-methyl-4-(1-methylsulfanylethyl)-3,6-dihydro-2H-pyridine
CID 14442227
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium iodide
CID 14442231
4-(ethylsulfanylmethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442232
1-methyl-5-(methylsulfanylmethyl)-3,6-dihydro-2H-pyridine
CID 19933891
1,5-dimethyl-4-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345779
1,4-dimethyl-5-methylsulfanyl-3,6-dihydro-2H-pyridine
CID 21345780

Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine (CID 143598561) is 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine is C=CSC1=C(C)CN(C)CC1.
What is the InChIKey of 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is KJXMMNGTIKGFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-11-9-5-6-10(3)7-8(9)2/h4H,1,5-7H2,2-3H3.
What are the key properties of 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine?
4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 169.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-1,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 143598561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).