2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

C16H23N3O2S — CID 91139040

IUPAC2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
SMILESCC1CC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CCN1
InChIInChI=1S/C16H23N3O2S/c1-11-8-13(4-6-18-11)15-10-19-16-3-2-12(9-14(15)16)5-7-22(17,20)21/h2-3,9-11,13,18-19H,4-8H2,1H3,(H2,17,20,21)
InChIKeyBYPQEPMNUXVLLG-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.85
Rot. Bonds4

About 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide

2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (PubChem CID 91139040) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
PubChem CID91139040
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
SMILESCC1CC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CCN1
InChIInChI=1S/C16H23N3O2S/c1-11-8-13(4-6-18-11)15-10-19-16-3-2-12(9-14(15)16)5-7-22(17,20)21/h2-3,9-11,13,18-19H,4-8H2,1H3,(H2,17,20,21)
InChIKeyBYPQEPMNUXVLLG-UHFFFAOYSA-N
XLogP1.85
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylpiperidin-4-yl)-1H-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-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The IUPAC name of 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide (CID 91139040) is 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The canonical SMILES for 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is CC1CC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CCN1.
What is the InChIKey of 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
The InChIKey is BYPQEPMNUXVLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-8-13(4-6-18-11)15-10-19-16-3-2-12(9-14(15)16)5-7-22(17,20)21/h2-3,9-11,13,18-19H,4-8H2,1H3,(H2,17,20,21).
What are the key properties of 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide?
2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 91139040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).