N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine

C20H18NS- — CID 134867271

IUPACN-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine
SMILESC(=N/[C@H](CSc1ccc[cH-]1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H18NS/c1-3-9-17(10-4-1)15-21-20(18-11-5-2-6-12-18)16-22-19-13-7-8-14-19/h1-15,20H,16H2/q-1/b21-15+/t20-/m1/s1
InChIKeyGVYPUOITUPNOPZ-LNKKFFRNSA-N
MW304.44 g/mol
LogP5.36
Rot. Bonds6

About N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine

N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine (PubChem CID 134867271) has the molecular formula C20H18NS- and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine
PubChem CID134867271
Molecular FormulaC20H18NS-
Molecular Weight304.44 g/mol
Exact Mass304.12
IUPAC NameN-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine
SMILESC(=N/[C@H](CSc1ccc[cH-]1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C20H18NS/c1-3-9-17(10-4-1)15-21-20(18-11-5-2-6-12-18)16-22-19-13-7-8-14-19/h1-15,20H,16H2/q-1/b21-15+/t20-/m1/s1
InChIKeyGVYPUOITUPNOPZ-LNKKFFRNSA-N
XLogP5.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzenemethanamine, N-(2-thienylmethylene)-
CID 2740077
2,5-Bis{[(R)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene
CID 139087974
1-phenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484482
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484483
N-benzhydryl-1-thiophen-2-ylmethanimine
CID 13763460
4,5-Dihydro-4-benzyl-2-phenyl thiazole
CID 14937784
Diphenylthiazoline
CID 129773501
5-(2,6-difluorophenyl)-2-(4-propan-2-ylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915342
5-(2-fluorophenyl)-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-pyrrole
CID 58915344
1-phenyl-N-[(Z)-2-phenyl-1-thiophen-2-ylethenyl]methanimine
CID 10517552
Benzenemethanamine, N-[[4-(methylthio)phenyl]methylene]-
CID 11736624
CID 12810347
CID 12810347

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine?
The IUPAC name of N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine (CID 134867271) is N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine.
What is the SMILES notation for N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine?
The canonical SMILES for N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine is C(=N/[C@H](CSc1ccc[cH-]1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine?
The InChIKey is GVYPUOITUPNOPZ-LNKKFFRNSA-N. The full InChI is InChI=1S/C20H18NS/c1-3-9-17(10-4-1)15-21-20(18-11-5-2-6-12-18)16-22-19-13-7-8-14-19/h1-15,20H,16H2/q-1/b21-15+/t20-/m1/s1.
What are the key properties of N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine?
N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine has a molecular weight of 304.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine is sourced from PubChem (CID 134867271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).