N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide

C11H21N3O2S — CID 61121930

IUPACN-(3-cyanopentan-3-yl)piperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3
InChIKeyADOMTTNIJXSUJA-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.39
Rot. Bonds5

About N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide

N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide (PubChem CID 61121930) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)piperidine-1-sulfonamide
PubChem CID61121930
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(3-cyanopentan-3-yl)piperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3
InChIKeyADOMTTNIJXSUJA-UHFFFAOYSA-N
XLogP1.39
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)piperidine-1-sulfonamide
CID 91645913
N-tert-butylpiperidine-1-sulfonamide
CID 14493220
N-(2-methylbutan-2-yl)piperidine-1-sulfonamide
CID 126657702
N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 130342800
4-amino-N,N,4-trimethylpiperidine-1-sulfonamide;hydrochloride
CID 130683843
N-(2-methylhexan-2-yl)piperidine-1-sulfonamide
CID 138623370
N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 149266881
1-Propan-2-yl-4-(sulfanylamino)piperidine-4-carbonitrile
CID 155238409
1-Tert-butyl-4-[(sulfamoylamino)methyl]piperidine
CID 175903631
4-Cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
CID 54947100
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 54996496
N-(1-cyanopropyl)piperidine-1-sulfonamide
CID 55137933

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide (CID 61121930) is N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide?
The InChIKey is ADOMTTNIJXSUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-3-11(4-2,10-12)13-17(15,16)14-8-6-5-7-9-14/h13H,3-9H2,1-2H3.
What are the key properties of N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide?
N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 61121930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).