N-(1-cyanocyclopentyl)oxane-4-sulfonamide

C11H18N2O3S — CID 55031204

IUPACN-(1-cyanocyclopentyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C11H18N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2
InChIKeyCCPWGRXVHOUCBG-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.92
Rot. Bonds3

About N-(1-cyanocyclopentyl)oxane-4-sulfonamide

N-(1-cyanocyclopentyl)oxane-4-sulfonamide (PubChem CID 55031204) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)oxane-4-sulfonamide
PubChem CID55031204
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(1-cyanocyclopentyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C11H18N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2
InChIKeyCCPWGRXVHOUCBG-UHFFFAOYSA-N
XLogP0.92
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocyclopentyl)oxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)oxane-4-sulfonamide (CID 55031204) is N-(1-cyanocyclopentyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)oxane-4-sulfonamide is N#CC1(NS(=O)(=O)C2CCOCC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)oxane-4-sulfonamide?
The InChIKey is CCPWGRXVHOUCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-8H2.
What are the key properties of N-(1-cyanocyclopentyl)oxane-4-sulfonamide?
N-(1-cyanocyclopentyl)oxane-4-sulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)oxane-4-sulfonamide is sourced from PubChem (CID 55031204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).