4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine

C10H16N2S2 — CID 91348623

IUPAC4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine
SMILESC/N=C(\CCC(N)SC)c1cccs1
InChIInChI=1S/C10H16N2S2/c1-12-8(5-6-10(11)13-2)9-4-3-7-14-9/h3-4,7,10H,5-6,11H2,1-2H3/b12-8+
InChIKeyOQAXNZJAXZXHRB-XYOKQWHBSA-N
MW228.39 g/mol
LogP2.60
Rot. Bonds5

About 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine

4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 91348623) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine
PubChem CID91348623
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine
SMILESC/N=C(\CCC(N)SC)c1cccs1
InChIInChI=1S/C10H16N2S2/c1-12-8(5-6-10(11)13-2)9-4-3-7-14-9/h3-4,7,10H,5-6,11H2,1-2H3/b12-8+
InChIKeyOQAXNZJAXZXHRB-XYOKQWHBSA-N
XLogP2.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine 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 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine (CID 91348623) is 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine is C/N=C(\CCC(N)SC)c1cccs1.
What is the InChIKey of 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is OQAXNZJAXZXHRB-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-12-8(5-6-10(11)13-2)9-4-3-7-14-9/h3-4,7,10H,5-6,11H2,1-2H3/b12-8+.
What are the key properties of 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine?
4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 228.39 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylimino-1-methylsulfanyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 91348623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).