5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine

C15H21NS — CID 146292594

IUPAC5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine
SMILESC=CS/C(=C\C)C1=CN(C)C(/C=C\C)C(C)=C1
InChIInChI=1S/C15H21NS/c1-6-9-14-12(4)10-13(11-16(14)5)15(7-2)17-8-3/h6-11,14H,3H2,1-2,4-5H3/b9-6-,15-7-
InChIKeySMUYYTDTHFKXOZ-CQSTVMPPSA-N
MW247.41 g/mol
LogP4.49
Rot. Bonds4

About 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine

5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine (PubChem CID 146292594) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine.

Molecular Properties

Compound Name5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine
PubChem CID146292594
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine
SMILESC=CS/C(=C\C)C1=CN(C)C(/C=C\C)C(C)=C1
InChIInChI=1S/C15H21NS/c1-6-9-14-12(4)10-13(11-16(14)5)15(7-2)17-8-3/h6-11,14H,3H2,1-2,4-5H3/b9-6-,15-7-
InChIKeySMUYYTDTHFKXOZ-CQSTVMPPSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine?
The IUPAC name of 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine (CID 146292594) is 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine.
What is the SMILES notation for 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine?
The canonical SMILES for 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine is C=CS/C(=C\C)C1=CN(C)C(/C=C\C)C(C)=C1.
What is the InChIKey of 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine?
The InChIKey is SMUYYTDTHFKXOZ-CQSTVMPPSA-N. The full InChI is InChI=1S/C15H21NS/c1-6-9-14-12(4)10-13(11-16(14)5)15(7-2)17-8-3/h6-11,14H,3H2,1-2,4-5H3/b9-6-,15-7-.
What are the key properties of 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine?
5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine has a molecular weight of 247.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-ethenylsulfanylprop-1-enyl]-1,3-dimethyl-2-[(Z)-prop-1-enyl]-2H-pyridine is sourced from PubChem (CID 146292594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).