1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine

C14H15NS — CID 15494569

IUPAC1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine
SMILESC1=CC(/C=N/CCSc2ccccc2)C=C1
InChIInChI=1S/C14H15NS/c1-2-8-14(9-3-1)16-11-10-15-12-13-6-4-5-7-13/h1-9,12-13H,10-11H2/b15-12+
InChIKeyCJHCZFARDSOFPQ-NTCAYCPXSA-N
MW229.35 g/mol
LogP3.59
Rot. Bonds5

About 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine

1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine (PubChem CID 15494569) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine
PubChem CID15494569
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC Name1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine
SMILESC1=CC(/C=N/CCSc2ccccc2)C=C1
InChIInChI=1S/C14H15NS/c1-2-8-14(9-3-1)16-11-10-15-12-13-6-4-5-7-13/h1-9,12-13H,10-11H2/b15-12+
InChIKeyCJHCZFARDSOFPQ-NTCAYCPXSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[(2-Isothiocyanatoethyl)sulfanyl]benzene
CID 4962505
3-(2,4-difluorophenyl)sulfanyl-3-fluoro-2H-pyridine
CID 173785514
6-Methyl-4-phenylsulfanyl-2,3,4,5-tetrahydropyridine
CID 12791711
N-tert-butyl-4-phenylsulfanyloct-2-yn-1-imine
CID 85833402
4-phenylthio-2H-imidazol
CID 129648599
Phenylthioazolinone
CID 129846929
N-[(Z)-1-(4-fluorophenyl)sulfanylbut-2-en-2-yl]propan-1-imine
CID 145145065
(NE)-N-(2-phenylsulfanylethylidene)hydroxylamine
CID 14266959
phenyl N-methylethanimidothioate
CID 15707425
2-phenylsulfanyl-2H-pyrrole
CID 19800205
(4-phenylsulfanyl-2H-pyrrol-3-yl)methanethiol
CID 20649061
N-(1-phenylsulfanylethyl)methanimine
CID 20684097

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine (CID 15494569) is 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine is C1=CC(/C=N/CCSc2ccccc2)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine?
The InChIKey is CJHCZFARDSOFPQ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H15NS/c1-2-8-14(9-3-1)16-11-10-15-12-13-6-4-5-7-13/h1-9,12-13H,10-11H2/b15-12+.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine?
1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine has a molecular weight of 229.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-N-(2-phenylsulfanylethyl)methanimine is sourced from PubChem (CID 15494569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).