(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine

C10H15NO2S2 — CID 19759913

IUPAC(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine
SMILESCCCC1(CN)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C10H15NO2S2/c1-2-4-10(7-11)6-8-3-5-14-9(8)15(10,12)13/h3,5H,2,4,6-7,11H2,1H3
InChIKeyFWIUDKQCFFJRNX-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.58
Rot. Bonds3

About (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine

(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine (PubChem CID 19759913) has the molecular formula C10H15NO2S2 and a molecular weight of 245.37 g/mol. Its IUPAC name is (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine.

Molecular Properties

Compound Name(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine
PubChem CID19759913
Molecular FormulaC10H15NO2S2
Molecular Weight245.37 g/mol
Exact Mass245.05
IUPAC Name(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine
SMILESCCCC1(CN)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C10H15NO2S2/c1-2-4-10(7-11)6-8-3-5-14-9(8)15(10,12)13/h3,5H,2,4,6-7,11H2,1H3
InChIKeyFWIUDKQCFFJRNX-UHFFFAOYSA-N
XLogP1.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine 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 (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine?
The IUPAC name of (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine (CID 19759913) is (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine.
What is the SMILES notation for (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine?
The canonical SMILES for (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine is CCCC1(CN)Cc2ccsc2S1(=O)=O.
What is the InChIKey of (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine?
The InChIKey is FWIUDKQCFFJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S2/c1-2-4-10(7-11)6-8-3-5-14-9(8)15(10,12)13/h3,5H,2,4,6-7,11H2,1H3.
What are the key properties of (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine?
(6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine has a molecular weight of 245.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophen-5-yl)methanamine is sourced from PubChem (CID 19759913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).