3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine

C18H19NS — CID 20573249

IUPAC3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C/CCc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H19NS/c1-13(2)19-11-5-6-14-9-10-18-16(12-14)15-7-3-4-8-17(15)20-18/h3-4,7-13H,5-6H2,1-2H3/b19-11+
InChIKeyUECQCIDYVJRCAQ-YBFXNURJSA-N
MW281.42 g/mol
LogP5.47
Rot. Bonds4

About 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine

3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine (PubChem CID 20573249) has the molecular formula C18H19NS and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
PubChem CID20573249
Molecular FormulaC18H19NS
Molecular Weight281.42 g/mol
Exact Mass281.12
IUPAC Name3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C/CCc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C18H19NS/c1-13(2)19-11-5-6-14-9-10-18-16(12-14)15-7-3-4-8-17(15)20-18/h3-4,7-13H,5-6H2,1-2H3/b19-11+
InChIKeyUECQCIDYVJRCAQ-YBFXNURJSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-dibenzothiophen-2-ylbutanal
CID 89173289
2-(2-iodo-2-methylpropyl)dibenzothiophene
CID 167162829
2-[(2-methylphenyl)methyl]dibenzothiophene
CID 135219412
3-dibenzothiophen-2-yl-N-ethyl-2-methylpropan-1-amine
CID 20572908
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
3-[4-(2-methylpropyl)phenyl]dibenzothiophene
CID 170134623
2-(dibenzothiophen-2-ylmethyl)-[1]benzothiolo[3,2-b]pyridine
CID 138496173
bis(dibenzothiophene);ethane
CID 143921746
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
dibenzothiophene;methane
CID 162233710
2-methyl-8-propyldibenzothiophene
CID 144955696
2-methyl-8-[2-(6-methyldibenzothiophen-2-yl)ethyl]dibenzothiophene
CID 138662442

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine (CID 20573249) is 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine is CC(C)/N=C/CCc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine?
The InChIKey is UECQCIDYVJRCAQ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19NS/c1-13(2)19-11-5-6-14-9-10-18-16(12-14)15-7-3-4-8-17(15)20-18/h3-4,7-13H,5-6H2,1-2H3/b19-11+.
What are the key properties of 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine?
3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine has a molecular weight of 281.42 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 20573249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).