N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine

C11H13NOSSe — CID 138974484

IUPACN-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
SMILESCOc1ccc(/N=C2\SCCC[Se]2)cc1
InChIInChI=1S/C11H13NOSSe/c1-13-10-5-3-9(4-6-10)12-11-14-7-2-8-15-11/h3-6H,2,7-8H2,1H3/b12-11+
InChIKeyIJGDCNFMNSPTIB-VAWYXSNFSA-N
MW286.26 g/mol
LogP2.94
Rot. Bonds2

About N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine

N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine (PubChem CID 138974484) has the molecular formula C11H13NOSSe and a molecular weight of 286.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
PubChem CID138974484
Molecular FormulaC11H13NOSSe
Molecular Weight286.26 g/mol
Exact Mass286.99
IUPAC NameN-(4-methoxyphenyl)-1,3-thiaselenan-2-imine
SMILESCOc1ccc(/N=C2\SCCC[Se]2)cc1
InChIInChI=1S/C11H13NOSSe/c1-13-10-5-3-9(4-6-10)12-11-14-7-2-8-15-11/h3-6H,2,7-8H2,1H3/b12-11+
InChIKeyIJGDCNFMNSPTIB-VAWYXSNFSA-N
XLogP2.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
N-(4-methoxyphenyl)-2,6-dimethylcyclohexan-1-imine
CID 19962585
2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135411286
(4-methoxyphenyl)-methyldiazene
CID 20589170
N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 162286968
2-bromo-3-(4-methoxyphenyl)-6,7-dihydro-5H-1,4-dithiepine
CID 11162896
1-(4-methoxyphenyl)iminothiane
CID 642019
N-(4-methoxyphenyl)-1,3-diphenyl-5,6-dihydro-4H-pentalen-2-imine
CID 11440319
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
6-(4-methoxyphenyl)iminoquinoxaline-5,8-dione
CID 57270509
(4-methoxyphenyl)-piperidin-1-yldiazene
CID 12535070
2-(1,3-dithian-2-ylidene)-2-(4-methoxyphenyl)acetonitrile
CID 132561882

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine?
The IUPAC name of N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine (CID 138974484) is N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine is COc1ccc(/N=C2\SCCC[Se]2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine?
The InChIKey is IJGDCNFMNSPTIB-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H13NOSSe/c1-13-10-5-3-9(4-6-10)12-11-14-7-2-8-15-11/h3-6H,2,7-8H2,1H3/b12-11+.
What are the key properties of N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine?
N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine has a molecular weight of 286.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-thiaselenan-2-imine is sourced from PubChem (CID 138974484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).