3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine

C16H20N2S — CID 19078392

IUPAC3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine
SMILESCCc1c[nH]c2ccc(-c3cccs3)cc12.CNC
InChIInChI=1S/C14H13NS.C2H7N/c1-2-10-9-15-13-6-5-11(8-12(10)13)14-4-3-7-16-14;1-3-2/h3-9,15H,2H2,1H3;3H,1-2H3
InChIKeyUTKDJTGXXOZNIU-UHFFFAOYSA-N
MW272.42 g/mol
LogP4.29
Rot. Bonds2

About 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine

3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine (PubChem CID 19078392) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine.

Molecular Properties

Compound Name3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine
PubChem CID19078392
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine
SMILESCCc1c[nH]c2ccc(-c3cccs3)cc12.CNC
InChIInChI=1S/C14H13NS.C2H7N/c1-2-10-9-15-13-6-5-11(8-12(10)13)14-4-3-7-16-14;1-3-2/h3-9,15H,2H2,1H3;3H,1-2H3
InChIKeyUTKDJTGXXOZNIU-UHFFFAOYSA-N
XLogP4.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine?
The IUPAC name of 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine (CID 19078392) is 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine.
What is the SMILES notation for 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine?
The canonical SMILES for 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine is CCc1c[nH]c2ccc(-c3cccs3)cc12.CNC.
What is the InChIKey of 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine?
The InChIKey is UTKDJTGXXOZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS.C2H7N/c1-2-10-9-15-13-6-5-11(8-12(10)13)14-4-3-7-16-14;1-3-2/h3-9,15H,2H2,1H3;3H,1-2H3.
What are the key properties of 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine?
3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine has a molecular weight of 272.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-thiophen-2-yl-1H-indole;N-methylmethanamine is sourced from PubChem (CID 19078392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).