N-(3-cyanopropyl)oxane-4-sulfonamide

C9H16N2O3S — CID 55210009

IUPACN-(3-cyanopropyl)oxane-4-sulfonamide
SMILESN#CCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-4,6-8H2
InChIKeyIBEQKVQYGSZVNA-UHFFFAOYSA-N
MW232.30 g/mol
LogP0.39
Rot. Bonds5

About N-(3-cyanopropyl)oxane-4-sulfonamide

N-(3-cyanopropyl)oxane-4-sulfonamide (PubChem CID 55210009) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(3-cyanopropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)oxane-4-sulfonamide
PubChem CID55210009
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(3-cyanopropyl)oxane-4-sulfonamide
SMILESN#CCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H16N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-4,6-8H2
InChIKeyIBEQKVQYGSZVNA-UHFFFAOYSA-N
XLogP0.39
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-cyanopropyl)oxane-4-sulfonamide (CID 55210009) is N-(3-cyanopropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-cyanopropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-cyanopropyl)oxane-4-sulfonamide is N#CCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-cyanopropyl)oxane-4-sulfonamide?
The InChIKey is IBEQKVQYGSZVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-4,6-8H2.
What are the key properties of N-(3-cyanopropyl)oxane-4-sulfonamide?
N-(3-cyanopropyl)oxane-4-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)oxane-4-sulfonamide is sourced from PubChem (CID 55210009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).