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N-(1-cyanocyclooctyl)azepane-1-sulfonamide

C15H27N3O2S — CID 61134008

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

IUPACN-(1-cyanocyclooctyl)azepane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C15H27N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-13H2
InChIKeyVWCZXXQHTWFFGT-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.70
Rot. Bonds3

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

N-(1-cyanocyclooctyl)azepane-1-sulfonamide (PubChem CID 61134008) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)azepane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)azepane-1-sulfonamide
PubChem CID61134008
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC NameN-(1-cyanocyclooctyl)azepane-1-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C15H27N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-13H2
InChIKeyVWCZXXQHTWFFGT-UHFFFAOYSA-N
XLogP2.70
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)azepane-1-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)azepane-1-sulfonamide (CID 61134008) is N-(1-cyanocyclooctyl)azepane-1-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)azepane-1-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)azepane-1-sulfonamide is N#CC1(NS(=O)(=O)N2CCCCCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)azepane-1-sulfonamide?
The InChIKey is VWCZXXQHTWFFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c16-14-15(10-6-2-1-3-7-11-15)17-21(19,20)18-12-8-4-5-9-13-18/h17H,1-13H2.
What are the key properties of N-(1-cyanocyclooctyl)azepane-1-sulfonamide?
N-(1-cyanocyclooctyl)azepane-1-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)azepane-1-sulfonamide is sourced from PubChem (CID 61134008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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