N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine

C16H23NOS2 — CID 105052913

IUPACN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NOS2/c1-15(2)9-10(16(3,4)18-15)14(17-5)13-8-12-11(20-13)6-7-19-12/h6-8,10,14,17H,9H2,1-5H3
InChIKeyJDDRJRBMBZSHAT-UHFFFAOYSA-N
MW309.50 g/mol
LogP4.82
Rot. Bonds3

About N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine

N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105052913) has the molecular formula C16H23NOS2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105052913
Molecular FormulaC16H23NOS2
Molecular Weight309.50 g/mol
Exact Mass309.12
IUPAC NameN-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H23NOS2/c1-15(2)9-10(16(3,4)18-15)14(17-5)13-8-12-11(20-13)6-7-19-12/h6-8,10,14,17H,9H2,1-5H3
InChIKeyJDDRJRBMBZSHAT-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052760
1-(2,4-dimethylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052789
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
N-methyl-1-(2-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053103
N-methyl-1-(6-methyl-3-pyridinyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189233
N-methyl-1-(1-methylimidazol-4-yl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114023285
(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105189142
N-[(4,5-dimethylthiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]propan-1-amine
CID 105052718
1-(3-chloro-2-pyridinyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 103444028
3-cyclopropyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 104994963
2-cyclobutyl-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115863602

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105052913) is N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc2sccc2s1)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is JDDRJRBMBZSHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS2/c1-15(2)9-10(16(3,4)18-15)14(17-5)13-8-12-11(20-13)6-7-19-12/h6-8,10,14,17H,9H2,1-5H3.
What are the key properties of N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine?
N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 309.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105052913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).