4-(2-methylsulfanylethyl)-3,4-dihydropyridine

C8H13NS — CID 143082108

IUPAC4-(2-methylsulfanylethyl)-3,4-dihydropyridine
SMILESCSCCC1C=CN=CC1
InChIInChI=1S/C8H13NS/c1-10-7-4-8-2-5-9-6-3-8/h2,5-6,8H,3-4,7H2,1H3
InChIKeyTWCJTAINMVQFKD-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.34
Rot. Bonds3

About 4-(2-methylsulfanylethyl)-3,4-dihydropyridine

4-(2-methylsulfanylethyl)-3,4-dihydropyridine (PubChem CID 143082108) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-(2-methylsulfanylethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(2-methylsulfanylethyl)-3,4-dihydropyridine
PubChem CID143082108
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-(2-methylsulfanylethyl)-3,4-dihydropyridine
SMILESCSCCC1C=CN=CC1
InChIInChI=1S/C8H13NS/c1-10-7-4-8-2-5-9-6-3-8/h2,5-6,8H,3-4,7H2,1H3
InChIKeyTWCJTAINMVQFKD-UHFFFAOYSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3a,7a-Dihydrothieno[3,2-c]pyridine
CID 23595345
4-Methyl-2-methylsulfanyl-3,4-dihydropyridine
CID 68102666
N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
CID 90893189
3-Methyl-3a,4-dihydrothieno[2,3-c]pyridine
CID 123313642
4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
CID 129313799
4-Ethenyl-3-methylsulfanyl-3,4-dihydropyridine
CID 130242600
N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
CID 139514862
ethane;ethene;4-methyl-3,4-dihydropyridine;(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226073
4-(2-Ethylsulfanylethyl)-3,4-dihydropyridine
CID 143418346
3-ethyl-2H-1,4-thiazine;3-methylhexa-1,5-diene
CID 155726356
(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine
CID 157040437
6-Methylsulfanyl-3-azabicyclo[4.1.0]hepta-2,4-diene
CID 164110113

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylethyl)-3,4-dihydropyridine?
The IUPAC name of 4-(2-methylsulfanylethyl)-3,4-dihydropyridine (CID 143082108) is 4-(2-methylsulfanylethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(2-methylsulfanylethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-(2-methylsulfanylethyl)-3,4-dihydropyridine is CSCCC1C=CN=CC1.
What is the InChIKey of 4-(2-methylsulfanylethyl)-3,4-dihydropyridine?
The InChIKey is TWCJTAINMVQFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-10-7-4-8-2-5-9-6-3-8/h2,5-6,8H,3-4,7H2,1H3.
What are the key properties of 4-(2-methylsulfanylethyl)-3,4-dihydropyridine?
4-(2-methylsulfanylethyl)-3,4-dihydropyridine has a molecular weight of 155.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylethyl)-3,4-dihydropyridine is sourced from PubChem (CID 143082108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).