N-ethyldibenzothiophen-4-amine

C14H13NS — CID 166464988

IUPACN-ethyldibenzothiophen-4-amine
SMILESCCNc1cccc2c1sc1ccccc12
InChIInChI=1S/C14H13NS/c1-2-15-12-8-5-7-11-10-6-3-4-9-13(10)16-14(11)12/h3-9,15H,2H2,1H3
InChIKeyAPCWIWFLGDEDPV-UHFFFAOYSA-N
MW227.33 g/mol
LogP4.49
Rot. Bonds2

About N-ethyldibenzothiophen-4-amine

N-ethyldibenzothiophen-4-amine (PubChem CID 166464988) has the molecular formula C14H13NS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-ethyldibenzothiophen-4-amine
PubChem CID166464988
Molecular FormulaC14H13NS
Molecular Weight227.33 g/mol
Exact Mass227.08
IUPAC NameN-ethyldibenzothiophen-4-amine
SMILESCCNc1cccc2c1sc1ccccc12
InChIInChI=1S/C14H13NS/c1-2-15-12-8-5-7-11-10-6-3-4-9-13(10)16-14(11)12/h3-9,15H,2H2,1H3
InChIKeyAPCWIWFLGDEDPV-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyldibenzothiophen-4-amine 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

ethane;4-ethyldibenzothiophene
CID 123227550
tert-butyl N-dibenzothiophen-4-ylcarbamate
CID 10946489
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-butan-2-yldibenzothiophene
CID 59503099
N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 147227535
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 171444458
N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 177286416
N-pyren-1-yldibenzothiophen-4-amine
CID 137457081
bis(dibenzothiophene);ethane
CID 143921746
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-propylaniline
CID 63433971

Frequently Asked Questions

What is the IUPAC name of N-ethyldibenzothiophen-4-amine?
The IUPAC name of N-ethyldibenzothiophen-4-amine (CID 166464988) is N-ethyldibenzothiophen-4-amine.
What is the SMILES notation for N-ethyldibenzothiophen-4-amine?
The canonical SMILES for N-ethyldibenzothiophen-4-amine is CCNc1cccc2c1sc1ccccc12.
What is the InChIKey of N-ethyldibenzothiophen-4-amine?
The InChIKey is APCWIWFLGDEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS/c1-2-15-12-8-5-7-11-10-6-3-4-9-13(10)16-14(11)12/h3-9,15H,2H2,1H3.
What are the key properties of N-ethyldibenzothiophen-4-amine?
N-ethyldibenzothiophen-4-amine has a molecular weight of 227.33 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyldibenzothiophen-4-amine is sourced from PubChem (CID 166464988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).