(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine

C18H19NS — CID 143567467

IUPAC(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine
SMILESCC/C=C\C(=N/C)c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19NS/c1-3-4-13-17(19-2)16-12-8-9-14-18(16)20-15-10-6-5-7-11-15/h4-14H,3H2,1-2H3/b13-4-,19-17+
InChIKeyJSMODRFADCNPQZ-LDGPSPNYSA-N
MW281.42 g/mol
LogP5.22
Rot. Bonds5

About (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine

(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine (PubChem CID 143567467) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine
PubChem CID143567467
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine
SMILESCC/C=C\C(=N/C)c1ccccc1Sc1ccccc1
InChIInChI=1S/C18H19NS/c1-3-4-13-17(19-2)16-12-8-9-14-18(16)20-15-10-6-5-7-11-15/h4-14H,3H2,1-2H3/b13-4-,19-17+
InChIKeyJSMODRFADCNPQZ-LDGPSPNYSA-N
XLogP5.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine?
The IUPAC name of (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine (CID 143567467) is (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine.
What is the SMILES notation for (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine?
The canonical SMILES for (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine is CC/C=C\C(=N/C)c1ccccc1Sc1ccccc1.
What is the InChIKey of (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine?
The InChIKey is JSMODRFADCNPQZ-LDGPSPNYSA-N. The full InChI is InChI=1S/C18H19NS/c1-3-4-13-17(19-2)16-12-8-9-14-18(16)20-15-10-6-5-7-11-15/h4-14H,3H2,1-2H3/b13-4-,19-17+.
What are the key properties of (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine?
(Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine has a molecular weight of 281.42 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-1-(2-phenylsulfanylphenyl)pent-2-en-1-imine is sourced from PubChem (CID 143567467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).