2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide

C11H25N3O2S — CID 106058322

IUPAC2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H25N3O2S/c1-2-3-5-8-13-17(15,16)14-9-6-4-7-11(14)10-12/h11,13H,2-10,12H2,1H3
InChIKeyZOQCLLYAMNNPMU-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds7

About 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide

2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide (PubChem CID 106058322) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
PubChem CID106058322
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide
SMILESCCCCCNS(=O)(=O)N1CCCCC1CN
InChIInChI=1S/C11H25N3O2S/c1-2-3-5-8-13-17(15,16)14-9-6-4-7-11(14)10-12/h11,13H,2-10,12H2,1H3
InChIKeyZOQCLLYAMNNPMU-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
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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Related Compounds

2-(aminomethyl)-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-sulfonamide
CID 106052820
2-(aminomethyl)-N-(4,4,4-trifluorobutyl)piperidine-1-sulfonamide
CID 115522853
2-(aminomethyl)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094240
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]piperidine-1-sulfonamide
CID 106094076
1-(pentylsulfamoyl)piperidine-2-carboxylic acid
CID 60857759
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-1-sulfonamide
CID 106051256
1-(butylsulfamoyl)piperidine-2-carboxylic acid
CID 60857762
2-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-1-sulfonamide
CID 106433776
2-[2-(methylamino)ethyl]-N-propylpiperidine-1-sulfonamide
CID 114810868
2-(aminomethyl)-N-(2,2-difluoroethyl)piperidine-1-sulfonamide
CID 115409106
2-(aminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 114141978
2-(hydroxymethyl)-N-(4-methoxybutyl)piperidine-1-sulfonamide
CID 114134652

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide (CID 106058322) is 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide is CCCCCNS(=O)(=O)N1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide?
The InChIKey is ZOQCLLYAMNNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-2-3-5-8-13-17(15,16)14-9-6-4-7-11(14)10-12/h11,13H,2-10,12H2,1H3.
What are the key properties of 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide?
2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide has a molecular weight of 263.41 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-pentylpiperidine-1-sulfonamide is sourced from PubChem (CID 106058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).