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

C9H16N2O3S — CID 62048262

IUPACN-(1-cyanopropyl)oxane-4-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-2-8(7-10)11-15(12,13)9-3-5-14-6-4-9/h8-9,11H,2-6H2,1H3
InChIKeyCTKFBBUTSQHSHX-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.39
Rot. Bonds4

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

N-(1-cyanopropyl)oxane-4-sulfonamide (PubChem CID 62048262) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(1-cyanopropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)oxane-4-sulfonamide
PubChem CID62048262
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(1-cyanopropyl)oxane-4-sulfonamide
SMILESCCC(C#N)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c1-2-8(7-10)11-15(12,13)9-3-5-14-6-4-9/h8-9,11H,2-6H2,1H3
InChIKeyCTKFBBUTSQHSHX-UHFFFAOYSA-N
XLogP0.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanopropyl)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-cyanopropyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanopropyl)oxane-4-sulfonamide (CID 62048262) is N-(1-cyanopropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanopropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanopropyl)oxane-4-sulfonamide is CCC(C#N)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(1-cyanopropyl)oxane-4-sulfonamide?
The InChIKey is CTKFBBUTSQHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-2-8(7-10)11-15(12,13)9-3-5-14-6-4-9/h8-9,11H,2-6H2,1H3.
What are the key properties of N-(1-cyanopropyl)oxane-4-sulfonamide?
N-(1-cyanopropyl)oxane-4-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).