N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide

C11H21N3O2S — CID 61122316

IUPACN-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21N3O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-8H2,1-3H3
InChIKeyXCUPBHGOOVRCHH-UHFFFAOYSA-N
MW259.37 g/mol
LogP1.24
Rot. Bonds4

About N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide

N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61122316) has the molecular formula C11H21N3O2S and a molecular weight of 259.37 g/mol. Its IUPAC name is N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide
PubChem CID61122316
Molecular FormulaC11H21N3O2S
Molecular Weight259.37 g/mol
Exact Mass259.14
IUPAC NameN-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C)(C#N)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C11H21N3O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-8H2,1-3H3
InChIKeyXCUPBHGOOVRCHH-UHFFFAOYSA-N
XLogP1.24
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-cyanoethyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 93860563
N-(2-methylbutan-2-yl)piperidine-1-sulfonamide
CID 126657702
N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 130342800
N-(2-methylhexan-2-yl)piperidine-1-sulfonamide
CID 138623370
N-tert-butyl-4-propan-2-ylpiperidine-1-sulfonamide
CID 149266881
5-(Aminomethyl)-2,2-dimethylpiperidine-1-sulfonamide
CID 169560284
N-(2-Cyanoethyl)-N,3-dimethyl-1-piperidinesulfonamide
CID 43210885
N-ethyl-3,5-dimethylpiperidine-1-sulfonamide
CID 43243292
3,5-dimethyl-N-propylpiperidine-1-sulfonamide
CID 43243297
N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43243593
3-methyl-N-propylpiperidine-1-sulfonamide
CID 43243603
3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 53509204

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide (CID 61122316) is N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide is CCC(C)(C#N)NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is XCUPBHGOOVRCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-4-11(3,9-12)13-17(15,16)14-7-5-6-10(2)8-14/h10,13H,4-8H2,1-3H3.
What are the key properties of N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide?
N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 259.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanobutan-2-yl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).