5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine

C18H24N2S — CID 167084780

IUPAC5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine
SMILESC=Cc1cc(SC2=CN/C(=N/C)CC2C)c(C)cc1CC
InChIInChI=1S/C18H24N2S/c1-6-14-8-12(3)16(10-15(14)7-2)21-17-11-20-18(19-5)9-13(17)4/h7-8,10-11,13H,2,6,9H2,1,3-5H3,(H,19,20)
InChIKeyDPRVPMTXTNIJLB-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.79
Rot. Bonds4

About 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine

5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine (PubChem CID 167084780) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine.

Molecular Properties

Compound Name5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine
PubChem CID167084780
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine
SMILESC=Cc1cc(SC2=CN/C(=N/C)CC2C)c(C)cc1CC
InChIInChI=1S/C18H24N2S/c1-6-14-8-12(3)16(10-15(14)7-2)21-17-11-20-18(19-5)9-13(17)4/h7-8,10-11,13H,2,6,9H2,1,3-5H3,(H,19,20)
InChIKeyDPRVPMTXTNIJLB-UHFFFAOYSA-N
XLogP4.79
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine?
The IUPAC name of 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine (CID 167084780) is 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine.
What is the SMILES notation for 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine?
The canonical SMILES for 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine is C=Cc1cc(SC2=CN/C(=N/C)CC2C)c(C)cc1CC.
What is the InChIKey of 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine?
The InChIKey is DPRVPMTXTNIJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-6-14-8-12(3)16(10-15(14)7-2)21-17-11-20-18(19-5)9-13(17)4/h7-8,10-11,13H,2,6,9H2,1,3-5H3,(H,19,20).
What are the key properties of 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine?
5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine has a molecular weight of 300.47 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethenyl-4-ethyl-2-methylphenyl)sulfanyl-N,4-dimethyl-3,4-dihydro-1H-pyridin-2-imine is sourced from PubChem (CID 167084780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).