N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide

C12H22N2O3S — CID 55014629

IUPACN-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C12H22N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-10H2,1H3
InChIKeyHAPQLJZIZLKHDS-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.56
Rot. Bonds5

About N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide

N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide (PubChem CID 55014629) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
PubChem CID55014629
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C12H22N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-10H2,1H3
InChIKeyHAPQLJZIZLKHDS-UHFFFAOYSA-N
XLogP1.56
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide (CID 55014629) is N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide?
The InChIKey is HAPQLJZIZLKHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-17-9-10-18(15,16)14-12(11-13)7-5-3-2-4-6-8-12/h14H,2-10H2,1H3.
What are the key properties of N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide?
N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55014629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).