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

C9H15NS — CID 143418346

IUPAC4-(2-ethylsulfanylethyl)-3,4-dihydropyridine
SMILESCCSCCC1C=CN=CC1
InChIInChI=1S/C9H15NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyZQGNPKMRVCSSCJ-UHFFFAOYSA-N
MW169.29 g/mol
LogP2.73
Rot. Bonds4

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

4-(2-ethylsulfanylethyl)-3,4-dihydropyridine (PubChem CID 143418346) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name4-(2-ethylsulfanylethyl)-3,4-dihydropyridine
PubChem CID143418346
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name4-(2-ethylsulfanylethyl)-3,4-dihydropyridine
SMILESCCSCCC1C=CN=CC1
InChIInChI=1S/C9H15NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyZQGNPKMRVCSSCJ-UHFFFAOYSA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tetrahydropyrido(b)thiophene
CID 129786507
N-ethenyl-4-ethyl-3,4-dihydrothiopyran-2-imine
CID 90893189
3-Methyl-3a,4-dihydrothieno[2,3-c]pyridine
CID 123313642
2,2-Dimethyl-6-pentan-3-yl-1,4-thiazine
CID 123862947
4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
CID 129313799
4-Ethenyl-3-methylsulfanyl-3,4-dihydropyridine
CID 130242600
2-methyl-6-propan-2-yl-2H-1,4-thiazine
CID 132187003
N-[(Z)-3-methyl-5-methylsulfanylpent-1-enyl]ethanimine
CID 139514862
4-(2-Methylsulfanylethyl)-3,4-dihydropyridine
CID 143082108
6-methyl-2-propan-2-yl-6H-1,3-thiazine
CID 155154829
(Z)-N-[1-(3-methylhex-5-en-2-ylsulfanyl)ethenyl]prop-2-en-1-imine
CID 157040437
2-methyl-6-pentan-3-yl-2H-1,4-thiazine
CID 145694186

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine?
The IUPAC name of 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine (CID 143418346) is 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine.
What is the SMILES notation for 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine?
The canonical SMILES for 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine is CCSCCC1C=CN=CC1.
What is the InChIKey of 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine?
The InChIKey is ZQGNPKMRVCSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-2-11-8-5-9-3-6-10-7-4-9/h3,6-7,9H,2,4-5,8H2,1H3.
What are the key properties of 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine?
4-(2-ethylsulfanylethyl)-3,4-dihydropyridine has a molecular weight of 169.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfanylethyl)-3,4-dihydropyridine is sourced from PubChem (CID 143418346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).