3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium

C8H17N3S — CID 175447765

IUPAC3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium
SMILESCCN=C=[N+]([S-])CCCN(C)C
InChIInChI=1S/C8H17N3S/c1-4-9-8-11(12)7-5-6-10(2)3/h4-7H2,1-3H3
InChIKeyLTLRLBXUBLHZLI-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.61
Rot. Bonds5

About 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium

3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium (PubChem CID 175447765) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium.

Molecular Properties

Compound Name3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium
PubChem CID175447765
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium
SMILESCCN=C=[N+]([S-])CCCN(C)C
InChIInChI=1S/C8H17N3S/c1-4-9-8-11(12)7-5-6-10(2)3/h4-7H2,1-3H3
InChIKeyLTLRLBXUBLHZLI-UHFFFAOYSA-N
XLogP0.61
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium 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-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium?
The IUPAC name of 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium (CID 175447765) is 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium.
What is the SMILES notation for 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium?
The canonical SMILES for 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium is CCN=C=[N+]([S-])CCCN(C)C.
What is the InChIKey of 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium?
The InChIKey is LTLRLBXUBLHZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-4-9-8-11(12)7-5-6-10(2)3/h4-7H2,1-3H3.
What are the key properties of 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium?
3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium has a molecular weight of 187.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl-(ethyliminomethylidene)-sulfidoazanium is sourced from PubChem (CID 175447765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).