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

C12H23N3O2S — CID 61122324

IUPACN-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-8-6-7-11(3)9-15/h11,14H,4-9H2,1-3H3
InChIKeyCTZLSVTZYKKSBB-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.64
Rot. Bonds5

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

N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide (PubChem CID 61122324) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide
PubChem CID61122324
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide
SMILESCCC(C#N)(CC)NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-8-6-7-11(3)9-15/h11,14H,4-9H2,1-3H3
InChIKeyCTZLSVTZYKKSBB-UHFFFAOYSA-N
XLogP1.64
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.64
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
1-Tert-butyl-4-[(sulfamoylamino)methyl]piperidine
CID 175903631
N-(2-cyanoethyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 28785073
4-cyano-N,N-dimethylpiperidine-1-sulfonamide
CID 39243730
N-(2-Cyanoethyl)-N,3-dimethyl-1-piperidinesulfonamide
CID 43210885
N-(2-cyanopropyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 54941891
N-(2-cyanopropyl)-N,4-dimethylpiperidine-1-sulfonamide
CID 54941892
4-Cyano-1-methyl-4-[[methyl(propan-2-yl)sulfamoyl]amino]piperidine
CID 54947100

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide (CID 61122324) is N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide is CCC(C#N)(CC)NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is CTZLSVTZYKKSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-12(5-2,10-13)14-18(16,17)15-8-6-7-11(3)9-15/h11,14H,4-9H2,1-3H3.
What are the key properties of N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide?
N-(3-cyanopentan-3-yl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.64, 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)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 61122324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).