N-butyl-2-oxooxolane-3-sulfonamide

C8H15NO4S — CID 57392802

IUPACN-butyl-2-oxooxolane-3-sulfonamide
SMILESCCCCNS(=O)(=O)C1CCOC1=O
InChIInChI=1S/C8H15NO4S/c1-2-3-5-9-14(11,12)7-4-6-13-8(7)10/h7,9H,2-6H2,1H3
InChIKeyQMKCMRGNRYNMAU-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.02
Rot. Bonds5

About N-butyl-2-oxooxolane-3-sulfonamide

N-butyl-2-oxooxolane-3-sulfonamide (PubChem CID 57392802) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is N-butyl-2-oxooxolane-3-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-oxooxolane-3-sulfonamide
PubChem CID57392802
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC NameN-butyl-2-oxooxolane-3-sulfonamide
SMILESCCCCNS(=O)(=O)C1CCOC1=O
InChIInChI=1S/C8H15NO4S/c1-2-3-5-9-14(11,12)7-4-6-13-8(7)10/h7,9H,2-6H2,1H3
InChIKeyQMKCMRGNRYNMAU-UHFFFAOYSA-N
XLogP0.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.02
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 N-butyl-2-oxooxolane-3-sulfonamide?
The IUPAC name of N-butyl-2-oxooxolane-3-sulfonamide (CID 57392802) is N-butyl-2-oxooxolane-3-sulfonamide.
What is the SMILES notation for N-butyl-2-oxooxolane-3-sulfonamide?
The canonical SMILES for N-butyl-2-oxooxolane-3-sulfonamide is CCCCNS(=O)(=O)C1CCOC1=O.
What is the InChIKey of N-butyl-2-oxooxolane-3-sulfonamide?
The InChIKey is QMKCMRGNRYNMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-2-3-5-9-14(11,12)7-4-6-13-8(7)10/h7,9H,2-6H2,1H3.
What are the key properties of N-butyl-2-oxooxolane-3-sulfonamide?
N-butyl-2-oxooxolane-3-sulfonamide has a molecular weight of 221.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxooxolane-3-sulfonamide is sourced from PubChem (CID 57392802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).