5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine

C10H15NS — CID 177183357

IUPAC5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine
SMILESC=CC1=C(SC)CCN=C1CC
InChIInChI=1S/C10H15NS/c1-4-8-9(5-2)11-7-6-10(8)12-3/h4H,1,5-7H2,2-3H3
InChIKeyLYGSUQVVCCSTAX-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.04
Rot. Bonds3

About 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine

5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine (PubChem CID 177183357) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine
PubChem CID177183357
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine
SMILESC=CC1=C(SC)CCN=C1CC
InChIInChI=1S/C10H15NS/c1-4-8-9(5-2)11-7-6-10(8)12-3/h4H,1,5-7H2,2-3H3
InChIKeyLYGSUQVVCCSTAX-UHFFFAOYSA-N
XLogP3.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-2,5-benzothiazepine hydrobromide
CID 19810499
2,3-Dihydro-4,1-benzothiazepine
CID 19810500
6-(3-Methylsulfanylpropyl)-2,3-dihydropyridine
CID 89244056
(Z)-3-N-methyl-4-methylidene-2-N-[(Z)-2-methylidene-3-methylsulfanylpent-3-enyl]hept-5-ene-2,3-diimine
CID 117829412
(6E)-5-butan-2-yl-6-but-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123212945
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
(6E)-5-butan-2-yl-6-prop-2-enylidene-2,3-dihydro-1,4-thiazine
CID 123616047
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
(6E)-N-ethyl-6-(3-propan-2-ylsulfanylbut-3-en-2-ylidene)cyclohexa-2,4-dien-1-imine
CID 139572395
(4Z)-N-ethyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 144752184
(6Z)-6-[(E)-2,3-dimethylpent-2-enylidene]-N-methyl-4-[(1Z,3E)-2-methyl-1-methylsulfanylhexa-1,3-dienyl]-2-propylcyclohexa-2,4-dien-1-imine
CID 146488241
(2Z)-N-methyl-2-pentan-2-ylidenethiophen-3-imine
CID 163710913

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine?
The IUPAC name of 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine (CID 177183357) is 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine.
What is the SMILES notation for 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine?
The canonical SMILES for 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine is C=CC1=C(SC)CCN=C1CC.
What is the InChIKey of 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine?
The InChIKey is LYGSUQVVCCSTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-8-9(5-2)11-7-6-10(8)12-3/h4H,1,5-7H2,2-3H3.
What are the key properties of 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine?
5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine has a molecular weight of 181.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-ethyl-4-methylsulfanyl-2,3-dihydropyridine is sourced from PubChem (CID 177183357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).