1-benzothiophen-3-ylmethanamine

C9H9NS — CID 2776347

IUPAC1-benzothiophen-3-ylmethanamine
SMILESNCc1csc2ccccc12
InChIInChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChIKeyWHTPXNOFEHTZAD-UHFFFAOYSA-N
MW163.25 g/mol
LogP2.36
Rot. Bonds1

About 1-benzothiophen-3-ylmethanamine

1-benzothiophen-3-ylmethanamine (PubChem CID 2776347) has the molecular formula C9H9NS and a molecular weight of 163.25 g/mol. Its IUPAC name is 1-benzothiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-benzothiophen-3-ylmethanamine
PubChem CID2776347
Molecular FormulaC9H9NS
Molecular Weight163.25 g/mol
Exact Mass163.05
IUPAC Name1-benzothiophen-3-ylmethanamine
SMILESNCc1csc2ccccc12
InChIInChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2
InChIKeyWHTPXNOFEHTZAD-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-ylmethanamine?
The IUPAC name of 1-benzothiophen-3-ylmethanamine (CID 2776347) is 1-benzothiophen-3-ylmethanamine.
What is the SMILES notation for 1-benzothiophen-3-ylmethanamine?
The canonical SMILES for 1-benzothiophen-3-ylmethanamine is NCc1csc2ccccc12.
What is the InChIKey of 1-benzothiophen-3-ylmethanamine?
The InChIKey is WHTPXNOFEHTZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6H,5,10H2.
What are the key properties of 1-benzothiophen-3-ylmethanamine?
1-benzothiophen-3-ylmethanamine has a molecular weight of 163.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-ylmethanamine is sourced from PubChem (CID 2776347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).