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N-(1-cyanocyclooctyl)piperidine-1-sulfonamide

C14H25N3O2S — CID 61134209

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(1-cyanocyclooctyl)piperidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCC2)CCCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-14(9-5-2-1-3-6-10-14)16-20(18,19)17-11-7-4-8-12-17/h16H,1-12H2
InChIKeyDTVLTDRTPIKUSU-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.31
Rot. Bonds3

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

N-(1-cyanocyclooctyl)piperidine-1-sulfonamide (PubChem CID 61134209) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)piperidine-1-sulfonamide
PubChem CID61134209
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-(1-cyanocyclooctyl)piperidine-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCC2)CCCCCCC1
InChIInChI=1S/C14H25N3O2S/c15-13-14(9-5-2-1-3-6-10-14)16-20(18,19)17-11-7-4-8-12-17/h16H,1-12H2
InChIKeyDTVLTDRTPIKUSU-UHFFFAOYSA-N
XLogP2.31
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)piperidine-1-sulfonamide (CID 61134209) is N-(1-cyanocyclooctyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)piperidine-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)piperidine-1-sulfonamide?
The InChIKey is DTVLTDRTPIKUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c15-13-14(9-5-2-1-3-6-10-14)16-20(18,19)17-11-7-4-8-12-17/h16H,1-12H2.
What are the key properties of N-(1-cyanocyclooctyl)piperidine-1-sulfonamide?
N-(1-cyanocyclooctyl)piperidine-1-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)piperidine-1-sulfonamide is sourced from PubChem (CID 61134209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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