[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine

C13H15NOS — CID 116987333

IUPAC[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine
SMILESCc1c(C2(CN)COC2)sc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9-10-4-2-3-5-11(10)16-12(9)13(6-14)7-15-8-13/h2-5H,6-8,14H2,1H3
InChIKeyFUBQPLGXUOUPTK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.44
Rot. Bonds2

About [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine

[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine (PubChem CID 116987333) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine
PubChem CID116987333
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine
SMILESCc1c(C2(CN)COC2)sc2ccccc12
InChIInChI=1S/C13H15NOS/c1-9-10-4-2-3-5-11(10)16-12(9)13(6-14)7-15-8-13/h2-5H,6-8,14H2,1H3
InChIKeyFUBQPLGXUOUPTK-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine?
The IUPAC name of [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine (CID 116987333) is [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine?
The canonical SMILES for [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine is Cc1c(C2(CN)COC2)sc2ccccc12.
What is the InChIKey of [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine?
The InChIKey is FUBQPLGXUOUPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-10-4-2-3-5-11(10)16-12(9)13(6-14)7-15-8-13/h2-5H,6-8,14H2,1H3.
What are the key properties of [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine?
[3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methyl-1-benzothiophen-2-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116987333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).