N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

C11H17NO2S2 — CID 21057027

IUPACN-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCCNC1CC(C)S(=O)(=O)c2sc(C)cc21
InChIInChI=1S/C11H17NO2S2/c1-4-12-10-6-8(3)16(13,14)11-9(10)5-7(2)15-11/h5,8,10,12H,4,6H2,1-3H3
InChIKeyOFXOXVWIAICNAA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.27
Rot. Bonds2

About N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine

N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (PubChem CID 21057027) has the molecular formula C11H17NO2S2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.

Molecular Properties

Compound NameN-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
PubChem CID21057027
Molecular FormulaC11H17NO2S2
Molecular Weight259.40 g/mol
Exact Mass259.07
IUPAC NameN-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine
SMILESCCNC1CC(C)S(=O)(=O)c2sc(C)cc21
InChIInChI=1S/C11H17NO2S2/c1-4-12-10-6-8(3)16(13,14)11-9(10)5-7(2)15-11/h5,8,10,12H,4,6H2,1-3H3
InChIKeyOFXOXVWIAICNAA-UHFFFAOYSA-N
XLogP2.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The IUPAC name of N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine (CID 21057027) is N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine.
What is the SMILES notation for N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The canonical SMILES for N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is CCNC1CC(C)S(=O)(=O)c2sc(C)cc21.
What is the InChIKey of N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
The InChIKey is OFXOXVWIAICNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S2/c1-4-12-10-6-8(3)16(13,14)11-9(10)5-7(2)15-11/h5,8,10,12H,4,6H2,1-3H3.
What are the key properties of N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine?
N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine has a molecular weight of 259.40 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-amine is sourced from PubChem (CID 21057027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).