N-(1-cyanocycloheptyl)piperidine-1-sulfonamide

C13H23N3O2S — CID 61124890

IUPACN-(1-cyanocycloheptyl)piperidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCC2)CCCCCC1
InChIInChI=1S/C13H23N3O2S/c14-12-13(8-4-1-2-5-9-13)15-19(17,18)16-10-6-3-7-11-16/h15H,1-11H2
InChIKeyUNBNMEQHUWJJFJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.92
Rot. Bonds3

About N-(1-cyanocycloheptyl)piperidine-1-sulfonamide

N-(1-cyanocycloheptyl)piperidine-1-sulfonamide (PubChem CID 61124890) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)piperidine-1-sulfonamide
PubChem CID61124890
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(1-cyanocycloheptyl)piperidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCC2)CCCCCC1
InChIInChI=1S/C13H23N3O2S/c14-12-13(8-4-1-2-5-9-13)15-19(17,18)16-10-6-3-7-11-16/h15H,1-11H2
InChIKeyUNBNMEQHUWJJFJ-UHFFFAOYSA-N
XLogP1.92
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cycloheptyl]-4-methylpiperidine-1-sulfonamide
CID 28940660
N-[1-(aminomethyl)cycloheptyl]piperidine-1-sulfonamide
CID 28940662
N-[1-(aminomethyl)cycloheptyl]-2-methylpiperidine-1-sulfonamide
CID 43119821
N-[1-(aminomethyl)cycloheptyl]-3-methylpiperidine-1-sulfonamide
CID 43119822
N-[(1-aminocycloheptyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 43598288
N-[(1-aminocycloheptyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 43598290
N-[(1-aminocycloheptyl)methyl]piperidine-1-sulfonamide
CID 43598291
N-[(1-aminocycloheptyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 43598294
N-[(1-aminocycloheptyl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
CID 43598301
1-Cyano-1-[[methyl(propan-2-yl)sulfamoyl]amino]cycloheptane
CID 54947884
N-(1-cyanocyclohexyl)azepane-1-sulfonamide
CID 60713525
N-(1-cyanocyclohexyl)piperidine-1-sulfonamide
CID 60723801

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)piperidine-1-sulfonamide (CID 61124890) is N-(1-cyanocycloheptyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)piperidine-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCCC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)piperidine-1-sulfonamide?
The InChIKey is UNBNMEQHUWJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c14-12-13(8-4-1-2-5-9-13)15-19(17,18)16-10-6-3-7-11-16/h15H,1-11H2.
What are the key properties of N-(1-cyanocycloheptyl)piperidine-1-sulfonamide?
N-(1-cyanocycloheptyl)piperidine-1-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)piperidine-1-sulfonamide is sourced from PubChem (CID 61124890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).