1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine

C15H11NS3 — CID 80733291

IUPAC1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(c1cc2sccc2s1)c1csc2ccccc12
InChIInChI=1S/C15H11NS3/c16-15(14-7-13-12(19-14)5-6-17-13)10-8-18-11-4-2-1-3-9(10)11/h1-8,15H,16H2
InChIKeyQBXIJCFYWVEDGE-UHFFFAOYSA-N
MW301.46 g/mol
LogP5.23
Rot. Bonds2

About 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine

1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine (PubChem CID 80733291) has the molecular formula C15H11NS3 and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
PubChem CID80733291
Molecular FormulaC15H11NS3
Molecular Weight301.46 g/mol
Exact Mass301.01
IUPAC Name1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
SMILESNC(c1cc2sccc2s1)c1csc2ccccc12
InChIInChI=1S/C15H11NS3/c16-15(14-7-13-12(19-14)5-6-17-13)10-8-18-11-4-2-1-3-9(10)11/h1-8,15H,16H2
InChIKeyQBXIJCFYWVEDGE-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
1-benzothiophen-3-yl-(2,6-difluorophenyl)methanamine
CID 43150877
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
CID 81127792
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
5-[bromo(naphthalen-1-yl)methyl]thieno[3,2-b]thiophene
CID 80739039
1-benzothiophen-3-yl-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 55108307
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine (CID 80733291) is 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine is NC(c1cc2sccc2s1)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
The InChIKey is QBXIJCFYWVEDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS3/c16-15(14-7-13-12(19-14)5-6-17-13)10-8-18-11-4-2-1-3-9(10)11/h1-8,15H,16H2.
What are the key properties of 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine?
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine is sourced from PubChem (CID 80733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).