3-ethylsulfanylisoindol-1-imine

C10H10N2S — CID 119093280

IUPAC3-ethylsulfanylisoindol-1-imine
SMILES[H]/N=C1\N=C(SCC)c2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-13-10-8-6-4-3-5-7(8)9(11)12-10/h3-6,11H,2H2,1H3/b11-9-
InChIKeyNCVAJBXWCZJCNS-LUAWRHEFSA-N
MW190.27 g/mol
LogP2.53
Rot. Bonds1

About 3-ethylsulfanylisoindol-1-imine

3-ethylsulfanylisoindol-1-imine (PubChem CID 119093280) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 3-ethylsulfanylisoindol-1-imine.

Molecular Properties

Compound Name3-ethylsulfanylisoindol-1-imine
PubChem CID119093280
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name3-ethylsulfanylisoindol-1-imine
SMILES[H]/N=C1\N=C(SCC)c2ccccc21
InChIInChI=1S/C10H10N2S/c1-2-13-10-8-6-4-3-5-7(8)9(11)12-10/h3-6,11H,2H2,1H3/b11-9-
InChIKeyNCVAJBXWCZJCNS-LUAWRHEFSA-N
XLogP2.53
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanylisoindol-1-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylisoindol-1-imine?
The IUPAC name of 3-ethylsulfanylisoindol-1-imine (CID 119093280) is 3-ethylsulfanylisoindol-1-imine.
What is the SMILES notation for 3-ethylsulfanylisoindol-1-imine?
The canonical SMILES for 3-ethylsulfanylisoindol-1-imine is [H]/N=C1\N=C(SCC)c2ccccc21.
What is the InChIKey of 3-ethylsulfanylisoindol-1-imine?
The InChIKey is NCVAJBXWCZJCNS-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H10N2S/c1-2-13-10-8-6-4-3-5-7(8)9(11)12-10/h3-6,11H,2H2,1H3/b11-9-.
What are the key properties of 3-ethylsulfanylisoindol-1-imine?
3-ethylsulfanylisoindol-1-imine has a molecular weight of 190.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylisoindol-1-imine is sourced from PubChem (CID 119093280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).