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

C16H23N3O2S — CID 70383161

IUPAC2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide
SMILESCN1CCC(n2ccc3cc(CCS(N)(=O)=O)ccc32)CC1
InChIInChI=1S/C16H23N3O2S/c1-18-8-5-15(6-9-18)19-10-4-14-12-13(2-3-16(14)19)7-11-22(17,20)21/h2-4,10,12,15H,5-9,11H2,1H3,(H2,17,20,21)
InChIKeyIMSRGYMLGOROCB-UHFFFAOYSA-N
MW321.45 g/mol
LogP1.74
Rot. Bonds4

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

2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide (PubChem CID 70383161) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide
PubChem CID70383161
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide
SMILESCN1CCC(n2ccc3cc(CCS(N)(=O)=O)ccc32)CC1
InChIInChI=1S/C16H23N3O2S/c1-18-8-5-15(6-9-18)19-10-4-14-12-13(2-3-16(14)19)7-11-22(17,20)21/h2-4,10,12,15H,5-9,11H2,1H3,(H2,17,20,21)
InChIKeyIMSRGYMLGOROCB-UHFFFAOYSA-N
XLogP1.74
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-methylpiperidin-4-yl)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-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide (CID 70383161) is 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide is CN1CCC(n2ccc3cc(CCS(N)(=O)=O)ccc32)CC1.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide?
The InChIKey is IMSRGYMLGOROCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-18-8-5-15(6-9-18)19-10-4-14-12-13(2-3-16(14)19)7-11-22(17,20)21/h2-4,10,12,15H,5-9,11H2,1H3,(H2,17,20,21).
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide?
2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide has a molecular weight of 321.45 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)indol-5-yl]ethanesulfonamide is sourced from PubChem (CID 70383161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).