4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide

C11H22N2O3S — CID 114267321

IUPAC4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H22N2O3S/c12-5-1-2-6-17(14,15)13-8-9-7-10-3-4-11(9)16-10/h9-11,13H,1-8,12H2
InChIKeyDHKPTVBJNHQXCL-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.21
Rot. Bonds7

About 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide

4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide (PubChem CID 114267321) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide
PubChem CID114267321
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide
SMILESNCCCCS(=O)(=O)NCC1CC2CCC1O2
InChIInChI=1S/C11H22N2O3S/c12-5-1-2-6-17(14,15)13-8-9-7-10-3-4-11(9)16-10/h9-11,13H,1-8,12H2
InChIKeyDHKPTVBJNHQXCL-UHFFFAOYSA-N
XLogP0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.21
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-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide (CID 114267321) is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide is NCCCCS(=O)(=O)NCC1CC2CCC1O2.
What is the InChIKey of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide?
The InChIKey is DHKPTVBJNHQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-5-1-2-6-17(14,15)13-8-9-7-10-3-4-11(9)16-10/h9-11,13H,1-8,12H2.
What are the key properties of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide?
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)butane-1-sulfonamide is sourced from PubChem (CID 114267321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).