4-amino-N-(oxan-4-yl)butane-1-sulfonamide

C9H20N2O3S — CID 61456909

IUPAC4-amino-N-(oxan-4-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-8-15(12,13)11-9-3-6-14-7-4-9/h9,11H,1-8,10H2
InChIKeyJTMXYCLZWMBORJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.18
Rot. Bonds6

About 4-amino-N-(oxan-4-yl)butane-1-sulfonamide

4-amino-N-(oxan-4-yl)butane-1-sulfonamide (PubChem CID 61456909) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-amino-N-(oxan-4-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(oxan-4-yl)butane-1-sulfonamide
PubChem CID61456909
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC Name4-amino-N-(oxan-4-yl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NC1CCOCC1
InChIInChI=1S/C9H20N2O3S/c10-5-1-2-8-15(12,13)11-9-3-6-14-7-4-9/h9,11H,1-8,10H2
InChIKeyJTMXYCLZWMBORJ-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 4-amino-N-(oxan-4-yl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(oxan-4-yl)butane-1-sulfonamide (CID 61456909) is 4-amino-N-(oxan-4-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(oxan-4-yl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(oxan-4-yl)butane-1-sulfonamide is NCCCCS(=O)(=O)NC1CCOCC1.
What is the InChIKey of 4-amino-N-(oxan-4-yl)butane-1-sulfonamide?
The InChIKey is JTMXYCLZWMBORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-5-1-2-8-15(12,13)11-9-3-6-14-7-4-9/h9,11H,1-8,10H2.
What are the key properties of 4-amino-N-(oxan-4-yl)butane-1-sulfonamide?
4-amino-N-(oxan-4-yl)butane-1-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 4-amino-N-(oxan-4-yl)butane-1-sulfonamide is sourced from PubChem (CID 61456909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).