N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine

C21H25NS2 — CID 86231784

IUPACN-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine
SMILESCC(C)SC(=CN=C(c1ccccc1)c1ccccc1)SC(C)C
InChIInChI=1S/C21H25NS2/c1-16(2)23-20(24-17(3)4)15-22-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,1-4H3
InChIKeyPOVOVLDEICZJLK-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.61
Rot. Bonds7

About N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine

N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine (PubChem CID 86231784) has the molecular formula C21H25NS2 and a molecular weight of 355.57 g/mol. Its IUPAC name is N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine
PubChem CID86231784
Molecular FormulaC21H25NS2
Molecular Weight355.57 g/mol
Exact Mass355.14
IUPAC NameN-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine
SMILESCC(C)SC(=CN=C(c1ccccc1)c1ccccc1)SC(C)C
InChIInChI=1S/C21H25NS2/c1-16(2)23-20(24-17(3)4)15-22-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,1-4H3
InChIKeyPOVOVLDEICZJLK-UHFFFAOYSA-N
XLogP6.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.61
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-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine (CID 86231784) is N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine is CC(C)SC(=CN=C(c1ccccc1)c1ccccc1)SC(C)C.
What is the InChIKey of N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine?
The InChIKey is POVOVLDEICZJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NS2/c1-16(2)23-20(24-17(3)4)15-22-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-17H,1-4H3.
What are the key properties of N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine?
N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine has a molecular weight of 355.57 g/mol, XLogP of 6.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(propan-2-ylsulfanyl)ethenyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 86231784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).