3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide

C13H19N3O2S — CID 4713248

IUPAC3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H19N3O2S/c1-14-19(17,18)11-4-5-13-12(8-11)10(9-15-13)6-7-16(2)3/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyDYMDQHOPDGWGOY-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.18
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide

3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide (PubChem CID 4713248) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide
PubChem CID4713248
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1
InChIInChI=1S/C13H19N3O2S/c1-14-19(17,18)11-4-5-13-12(8-11)10(9-15-13)6-7-16(2)3/h4-5,8-9,14-15H,6-7H2,1-3H3
InChIKeyDYMDQHOPDGWGOY-UHFFFAOYSA-N
XLogP1.18
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide 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 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide (CID 4713248) is 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide is CNS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide?
The InChIKey is DYMDQHOPDGWGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-14-19(17,18)11-4-5-13-12(8-11)10(9-15-13)6-7-16(2)3/h4-5,8-9,14-15H,6-7H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide?
3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-sulfonamide is sourced from PubChem (CID 4713248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).