2-oxo-N-pentyloxolane-3-sulfonamide

C9H17NO4S — CID 56935708

IUPAC2-oxo-N-pentyloxolane-3-sulfonamide
SMILESCCCCCNS(=O)(=O)C1CCOC1=O
InChIInChI=1S/C9H17NO4S/c1-2-3-4-6-10-15(12,13)8-5-7-14-9(8)11/h8,10H,2-7H2,1H3
InChIKeyQLGULHDDJDOMCT-UHFFFAOYSA-N
MW235.30 g/mol
LogP0.41
Rot. Bonds6

About 2-oxo-N-pentyloxolane-3-sulfonamide

2-oxo-N-pentyloxolane-3-sulfonamide (PubChem CID 56935708) has the molecular formula C9H17NO4S and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-oxo-N-pentyloxolane-3-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-pentyloxolane-3-sulfonamide
PubChem CID56935708
Molecular FormulaC9H17NO4S
Molecular Weight235.30 g/mol
Exact Mass235.09
IUPAC Name2-oxo-N-pentyloxolane-3-sulfonamide
SMILESCCCCCNS(=O)(=O)C1CCOC1=O
InChIInChI=1S/C9H17NO4S/c1-2-3-4-6-10-15(12,13)8-5-7-14-9(8)11/h8,10H,2-7H2,1H3
InChIKeyQLGULHDDJDOMCT-UHFFFAOYSA-N
XLogP0.41
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 50.41
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 2-oxo-N-pentyloxolane-3-sulfonamide?
The IUPAC name of 2-oxo-N-pentyloxolane-3-sulfonamide (CID 56935708) is 2-oxo-N-pentyloxolane-3-sulfonamide.
What is the SMILES notation for 2-oxo-N-pentyloxolane-3-sulfonamide?
The canonical SMILES for 2-oxo-N-pentyloxolane-3-sulfonamide is CCCCCNS(=O)(=O)C1CCOC1=O.
What is the InChIKey of 2-oxo-N-pentyloxolane-3-sulfonamide?
The InChIKey is QLGULHDDJDOMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4S/c1-2-3-4-6-10-15(12,13)8-5-7-14-9(8)11/h8,10H,2-7H2,1H3.
What are the key properties of 2-oxo-N-pentyloxolane-3-sulfonamide?
2-oxo-N-pentyloxolane-3-sulfonamide has a molecular weight of 235.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentyloxolane-3-sulfonamide is sourced from PubChem (CID 56935708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).