N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide

C16H23N3O2S — CID 71899025

IUPACN-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCn1ccc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H23N3O2S/c20-22(21,19-12-4-1-5-13-19)17-10-6-11-18-14-9-15-7-2-3-8-16(15)18/h2-3,7-9,14,17H,1,4-6,10-13H2
InChIKeyXOOXSFKBGPQBPM-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.35
Rot. Bonds6

About N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide

N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide (PubChem CID 71899025) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
PubChem CID71899025
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(3-indol-1-ylpropyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCn1ccc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H23N3O2S/c20-22(21,19-12-4-1-5-13-19)17-10-6-11-18-14-9-15-7-2-3-8-16(15)18/h2-3,7-9,14,17H,1,4-6,10-13H2
InChIKeyXOOXSFKBGPQBPM-UHFFFAOYSA-N
XLogP2.35
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide (CID 71899025) is N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide is O=S(=O)(NCCCn1ccc2ccccc21)N1CCCCC1.
What is the InChIKey of N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide?
The InChIKey is XOOXSFKBGPQBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-22(21,19-12-4-1-5-13-19)17-10-6-11-18-14-9-15-7-2-3-8-16(15)18/h2-3,7-9,14,17H,1,4-6,10-13H2.
What are the key properties of N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide?
N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide has a molecular weight of 321.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 71899025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).