N-(3-aminopropyl)piperidine-1-sulfonamide

C8H19N3O2S — CID 28785014

IUPACN-(3-aminopropyl)piperidine-1-sulfonamide
SMILESNCCCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H19N3O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-9H2
InChIKeyQVPHJWHOQMLMDX-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.34
Rot. Bonds5

About N-(3-aminopropyl)piperidine-1-sulfonamide

N-(3-aminopropyl)piperidine-1-sulfonamide (PubChem CID 28785014) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-(3-aminopropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)piperidine-1-sulfonamide
PubChem CID28785014
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN-(3-aminopropyl)piperidine-1-sulfonamide
SMILESNCCCNS(=O)(=O)N1CCCCC1
InChIInChI=1S/C8H19N3O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-9H2
InChIKeyQVPHJWHOQMLMDX-UHFFFAOYSA-N
XLogP-0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
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-aminopropyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)piperidine-1-sulfonamide (CID 28785014) is N-(3-aminopropyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)piperidine-1-sulfonamide is NCCCNS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)piperidine-1-sulfonamide?
The InChIKey is QVPHJWHOQMLMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c9-5-4-6-10-14(12,13)11-7-2-1-3-8-11/h10H,1-9H2.
What are the key properties of N-(3-aminopropyl)piperidine-1-sulfonamide?
N-(3-aminopropyl)piperidine-1-sulfonamide has a molecular weight of 221.33 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 28785014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).