N-(4-aminobutyl)oxane-4-sulfonamide

C9H20N2O3S — CID 62047530

IUPACN-(4-aminobutyl)oxane-4-sulfonamide
SMILESNCCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8,10H2
InChIKeyVODKXAGLBGMFPY-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds6

About N-(4-aminobutyl)oxane-4-sulfonamide

N-(4-aminobutyl)oxane-4-sulfonamide (PubChem CID 62047530) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(4-aminobutyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-aminobutyl)oxane-4-sulfonamide
PubChem CID62047530
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(4-aminobutyl)oxane-4-sulfonamide
SMILESNCCCCNS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8,10H2
InChIKeyVODKXAGLBGMFPY-UHFFFAOYSA-N
XLogP-0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
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-(4-aminobutyl)oxane-4-sulfonamide?
The IUPAC name of N-(4-aminobutyl)oxane-4-sulfonamide (CID 62047530) is N-(4-aminobutyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(4-aminobutyl)oxane-4-sulfonamide?
The canonical SMILES for N-(4-aminobutyl)oxane-4-sulfonamide is NCCCCNS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(4-aminobutyl)oxane-4-sulfonamide?
The InChIKey is VODKXAGLBGMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-5-1-2-6-11-15(12,13)9-3-7-14-8-4-9/h9,11H,1-8,10H2.
What are the key properties of N-(4-aminobutyl)oxane-4-sulfonamide?
N-(4-aminobutyl)oxane-4-sulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)oxane-4-sulfonamide is sourced from PubChem (CID 62047530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).