4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine

C10H15NS — CID 129313799

IUPAC4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
SMILESCCS/C=C/C1C=CN=CC1C
InChIInChI=1S/C10H15NS/c1-3-12-7-5-10-4-6-11-8-9(10)2/h4-10H,3H2,1-2H3/b7-5+
InChIKeyVUAZYLYSEXXGQU-FNORWQNLSA-N
MW181.30 g/mol
LogP3.10
Rot. Bonds3

About 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine

4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine (PubChem CID 129313799) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
PubChem CID129313799
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine
SMILESCCS/C=C/C1C=CN=CC1C
InChIInChI=1S/C10H15NS/c1-3-12-7-5-10-4-6-11-8-9(10)2/h4-10H,3H2,1-2H3/b7-5+
InChIKeyVUAZYLYSEXXGQU-FNORWQNLSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine?
The IUPAC name of 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine (CID 129313799) is 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine is CCS/C=C/C1C=CN=CC1C.
What is the InChIKey of 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine?
The InChIKey is VUAZYLYSEXXGQU-FNORWQNLSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-12-7-5-10-4-6-11-8-9(10)2/h4-10H,3H2,1-2H3/b7-5+.
What are the key properties of 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine?
4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine has a molecular weight of 181.30 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-ethylsulfanylethenyl]-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 129313799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).