N-(1-cyanocyclooctyl)morpholine-4-sulfonamide

C13H23N3O3S — CID 61133207

IUPACN-(1-cyanocyclooctyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1
InChIInChI=1S/C13H23N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-11H2
InChIKeyCLGPGNZIFZXMJQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.16
Rot. Bonds3

About N-(1-cyanocyclooctyl)morpholine-4-sulfonamide

N-(1-cyanocyclooctyl)morpholine-4-sulfonamide (PubChem CID 61133207) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)morpholine-4-sulfonamide
PubChem CID61133207
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(1-cyanocyclooctyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1
InChIInChI=1S/C13H23N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-11H2
InChIKeyCLGPGNZIFZXMJQ-UHFFFAOYSA-N
XLogP1.16
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclooctyl)morpholine-4-sulfonamide (CID 61133207) is N-(1-cyanocyclooctyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclooctyl)morpholine-4-sulfonamide is N#CC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)morpholine-4-sulfonamide?
The InChIKey is CLGPGNZIFZXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-11H2.
What are the key properties of N-(1-cyanocyclooctyl)morpholine-4-sulfonamide?
N-(1-cyanocyclooctyl)morpholine-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)morpholine-4-sulfonamide is sourced from PubChem (CID 61133207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).