N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide

C14H24N2O3S — CID 63247605

IUPACN-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-11H2
InChIKeyJACJSVNPBRZYKB-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.09
Rot. Bonds4

About N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide

N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247605) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247605
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESN#CC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1
InChIInChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-11H2
InChIKeyJACJSVNPBRZYKB-UHFFFAOYSA-N
XLogP2.09
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63247605) is N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide is N#CC1(NS(=O)(=O)CC2CCCO2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is JACJSVNPBRZYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c15-12-14(8-4-2-1-3-5-9-14)16-20(17,18)11-13-7-6-10-19-13/h13,16H,1-11H2.
What are the key properties of N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).