2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide

C14H21N3O2S — CID 67930893

IUPAC2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
SMILESCNCCc1cn(C)c2ccc(CCS(N)(=O)=O)cc12
InChIInChI=1S/C14H21N3O2S/c1-16-7-5-12-10-17(2)14-4-3-11(9-13(12)14)6-8-20(15,18)19/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18,19)
InChIKeyQAVSPLQAQSQGLD-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.77
Rot. Bonds6

About 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide

2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide (PubChem CID 67930893) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
PubChem CID67930893
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
SMILESCNCCc1cn(C)c2ccc(CCS(N)(=O)=O)cc12
InChIInChI=1S/C14H21N3O2S/c1-16-7-5-12-10-17(2)14-4-3-11(9-13(12)14)6-8-20(15,18)19/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18,19)
InChIKeyQAVSPLQAQSQGLD-UHFFFAOYSA-N
XLogP0.77
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide?
The IUPAC name of 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide (CID 67930893) is 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide is CNCCc1cn(C)c2ccc(CCS(N)(=O)=O)cc12.
What is the InChIKey of 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide?
The InChIKey is QAVSPLQAQSQGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16-7-5-12-10-17(2)14-4-3-11(9-13(12)14)6-8-20(15,18)19/h3-4,9-10,16H,5-8H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide?
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide has a molecular weight of 295.41 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 67930893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).