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

C8H18N2O3S — CID 62047529

IUPACN-(3-aminopropyl)oxane-4-sulfonamide
SMILESNCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7,9H2
InChIKeyCHXOBXGHUFUBGR-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.57
Rot. Bonds5

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

N-(3-aminopropyl)oxane-4-sulfonamide (PubChem CID 62047529) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-aminopropyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)oxane-4-sulfonamide
PubChem CID62047529
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-(3-aminopropyl)oxane-4-sulfonamide
SMILESNCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C8H18N2O3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7,9H2
InChIKeyCHXOBXGHUFUBGR-UHFFFAOYSA-N
XLogP-0.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)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-(3-aminopropyl)oxane-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)oxane-4-sulfonamide (CID 62047529) is N-(3-aminopropyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)oxane-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)oxane-4-sulfonamide is NCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(3-aminopropyl)oxane-4-sulfonamide?
The InChIKey is CHXOBXGHUFUBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c9-4-1-5-10-14(11,12)8-2-6-13-7-3-8/h8,10H,1-7,9H2.
What are the key properties of N-(3-aminopropyl)oxane-4-sulfonamide?
N-(3-aminopropyl)oxane-4-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)oxane-4-sulfonamide is sourced from PubChem (CID 62047529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).