4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide

C12H23N5O2S — CID 106077070

IUPAC4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C12H23N5O2S/c13-11-12-3-9-17(10-4-12)20(18,19)15-6-2-8-16-7-1-5-14-16/h1,5,7,12,15H,2-4,6,8-11,13H2
InChIKeyWHRRTOADKZMJAI-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.22
Rot. Bonds7

About 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide (PubChem CID 106077070) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
PubChem CID106077070
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCCCn2cccn2)CC1
InChIInChI=1S/C12H23N5O2S/c13-11-12-3-9-17(10-4-12)20(18,19)15-6-2-8-16-7-1-5-14-16/h1,5,7,12,15H,2-4,6,8-11,13H2
InChIKeyWHRRTOADKZMJAI-UHFFFAOYSA-N
XLogP-0.22
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyrazol-1-ylethylsulfamoyl)piperidine-4-carboxylic acid
CID 61462648
4-(aminomethyl)-N-(2-imidazol-1-ylethyl)piperidine-1-sulfonamide
CID 106018033
4-(aminomethyl)-N-[3-(dimethylamino)propyl]piperidine-1-sulfonamide
CID 114132361
3-(aminomethyl)-N-[3-(triazol-1-yl)propyl]piperidine-1-sulfonamide
CID 106077004
4-(aminomethyl)-N-(7-methyloctyl)piperidine-1-sulfonamide
CID 107818664
4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018187
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
4-(aminomethyl)-N-(2-phenoxyethyl)piperidine-1-sulfonamide
CID 106018330
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
N-(3-pyrazol-1-ylpropyl)propane-1-sulfonamide
CID 112686403
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide
CID 106009682

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide (CID 106077070) is 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)NCCCn2cccn2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
The InChIKey is WHRRTOADKZMJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c13-11-12-3-9-17(10-4-12)20(18,19)15-6-2-8-16-7-1-5-14-16/h1,5,7,12,15H,2-4,6,8-11,13H2.
What are the key properties of 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106077070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).