N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine

C24H21NO2S — CID 11153430

IUPACN-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine
SMILESO=S(=O)(/C=C/[C@@H]1C[C@H]1N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2S/c26-28(27,22-14-8-3-9-15-22)17-16-21-18-23(21)25-24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-17,21,23H,18H2/b17-16+/t21-,23-/m1/s1
InChIKeyBLQMEESUEOOKGH-GWHMAVBBSA-N
MW387.50 g/mol
LogP4.90
Rot. Bonds6

About N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine

N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine (PubChem CID 11153430) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine
PubChem CID11153430
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine
SMILESO=S(=O)(/C=C/[C@@H]1C[C@H]1N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO2S/c26-28(27,22-14-8-3-9-15-22)17-16-21-18-23(21)25-24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-17,21,23H,18H2/b17-16+/t21-,23-/m1/s1
InChIKeyBLQMEESUEOOKGH-GWHMAVBBSA-N
XLogP4.90
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine (CID 11153430) is N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine is O=S(=O)(/C=C/[C@@H]1C[C@H]1N=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine?
The InChIKey is BLQMEESUEOOKGH-GWHMAVBBSA-N. The full InChI is InChI=1S/C24H21NO2S/c26-28(27,22-14-8-3-9-15-22)17-16-21-18-23(21)25-24(19-10-4-1-5-11-19)20-12-6-2-7-13-20/h1-17,21,23H,18H2/b17-16+/t21-,23-/m1/s1.
What are the key properties of N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine?
N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine has a molecular weight of 387.50 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(E)-2-(benzenesulfonyl)ethenyl]cyclopropyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 11153430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).