N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide

C10H19N5O2S — CID 47180738

IUPACN-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)N1CCCCC1
InChIInChI=1S/C10H19N5O2S/c16-18(17,15-7-2-1-3-8-15)13-5-4-6-14-10-11-9-12-14/h9-10,13H,1-8H2
InChIKeyBMZLFIOQRKWTRR-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.01
Rot. Bonds6

About N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide

N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide (PubChem CID 47180738) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide
PubChem CID47180738
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC NameN-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCn1cncn1)N1CCCCC1
InChIInChI=1S/C10H19N5O2S/c16-18(17,15-7-2-1-3-8-15)13-5-4-6-14-10-11-9-12-14/h9-10,13H,1-8H2
InChIKeyBMZLFIOQRKWTRR-UHFFFAOYSA-N
XLogP-0.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-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 N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide (CID 47180738) is N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide is O=S(=O)(NCCCn1cncn1)N1CCCCC1.
What is the InChIKey of N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide?
The InChIKey is BMZLFIOQRKWTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c16-18(17,15-7-2-1-3-8-15)13-5-4-6-14-10-11-9-12-14/h9-10,13H,1-8H2.
What are the key properties of N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide?
N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 47180738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).