3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole

C15H15NOS — CID 614717

IUPAC3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole
SMILESCOC(c1cccs1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H15NOS/c1-10-14(11-6-3-4-7-12(11)16-10)15(17-2)13-8-5-9-18-13/h3-9,15-16H,1-2H3
InChIKeySUIBVCRELRQXIR-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.27
Rot. Bonds3

About 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole

3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole (PubChem CID 614717) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole
PubChem CID614717
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC Name3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole
SMILESCOC(c1cccs1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H15NOS/c1-10-14(11-6-3-4-7-12(11)16-10)15(17-2)13-8-5-9-18-13/h3-9,15-16H,1-2H3
InChIKeySUIBVCRELRQXIR-UHFFFAOYSA-N
XLogP4.27
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole (CID 614717) is 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole is COC(c1cccs1)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole?
The InChIKey is SUIBVCRELRQXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-10-14(11-6-3-4-7-12(11)16-10)15(17-2)13-8-5-9-18-13/h3-9,15-16H,1-2H3.
What are the key properties of 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole?
3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole has a molecular weight of 257.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(thiophen-2-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 614717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).