1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine

C14H13NOS2 — CID 81127792

IUPAC1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1csc2ccccc12
InChIInChI=1S/C14H13NOS2/c1-16-11-6-7-17-14(11)13(15)10-8-18-12-5-3-2-4-9(10)12/h2-8,13H,15H2,1H3
InChIKeyQPRGTGZIEIHQLR-UHFFFAOYSA-N
MW275.40 g/mol
LogP4.02
Rot. Bonds3

About 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine

1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine (PubChem CID 81127792) has the molecular formula C14H13NOS2 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
PubChem CID81127792
Molecular FormulaC14H13NOS2
Molecular Weight275.40 g/mol
Exact Mass275.04
IUPAC Name1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine
SMILESCOc1ccsc1C(N)c1csc2ccccc12
InChIInChI=1S/C14H13NOS2/c1-16-11-6-7-17-14(11)13(15)10-8-18-12-5-3-2-4-9(10)12/h2-8,13H,15H2,1H3
InChIKeyQPRGTGZIEIHQLR-UHFFFAOYSA-N
XLogP4.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024860
1-benzothiophen-3-yl-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103400623
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
1-benzothiophen-3-yl-(2,4,5-trimethylphenyl)methanamine
CID 104990399
isoquinolin-8-yl-(3-methoxythiophen-2-yl)methanamine
CID 103136207
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
1-benzothiophen-3-yl-(2-propoxyphenyl)methanamine
CID 105035778
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine (CID 81127792) is 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine is COc1ccsc1C(N)c1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is QPRGTGZIEIHQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS2/c1-16-11-6-7-17-14(11)13(15)10-8-18-12-5-3-2-4-9(10)12/h2-8,13H,15H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine?
1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81127792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).