N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine

C9H15NS2 — CID 126761402

IUPACN-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SSCCC
InChIInChI=1S/C9H15NS2/c1-4-6-7-9(10-3)12-11-8-5-2/h4,6-7H,3,5,8H2,1-2H3/b6-4-,9-7+
InChIKeyQIWVJUAJMVRTAN-UNQQQNFISA-N
MW201.36 g/mol
LogP3.90
Rot. Bonds6

About N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine (PubChem CID 126761402) has the molecular formula C9H15NS2 and a molecular weight of 201.36 g/mol. Its IUPAC name is N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine
PubChem CID126761402
Molecular FormulaC9H15NS2
Molecular Weight201.36 g/mol
Exact Mass201.06
IUPAC NameN-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SSCCC
InChIInChI=1S/C9H15NS2/c1-4-6-7-9(10-3)12-11-8-5-2/h4,6-7H,3,5,8H2,1-2H3/b6-4-,9-7+
InChIKeyQIWVJUAJMVRTAN-UNQQQNFISA-N
XLogP3.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 131978521
CID 131978521
CID 139469411
CID 139469411
CID 142557503
CID 142557503
CID 143450889
CID 143450889
CID 143653337
CID 143653337
CID 144283858
CID 144283858
CID 144283902
CID 144283902
CID 144351844
CID 144351844
CID 145064855
CID 145064855
CID 169621300
CID 169621300
CID 173811166
CID 173811166

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine (CID 126761402) is N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)SSCCC.
What is the InChIKey of N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine?
The InChIKey is QIWVJUAJMVRTAN-UNQQQNFISA-N. The full InChI is InChI=1S/C9H15NS2/c1-4-6-7-9(10-3)12-11-8-5-2/h4,6-7H,3,5,8H2,1-2H3/b6-4-,9-7+.
What are the key properties of N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine has a molecular weight of 201.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 126761402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).