N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide

C8H12N2O4S — CID 87722828

IUPACN-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C8H12N2O4S/c1-4-8(2,3)9-15(12,13)10-5-6-14-7(10)11/h1,9H,5-6H2,2-3H3
InChIKeyLEBXINOWENWRBD-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.32
Rot. Bonds3

About N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide

N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide (PubChem CID 87722828) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide
PubChem CID87722828
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC NameN-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide
SMILESC#CC(C)(C)NS(=O)(=O)N1CCOC1=O
InChIInChI=1S/C8H12N2O4S/c1-4-8(2,3)9-15(12,13)10-5-6-14-7(10)11/h1,9H,5-6H2,2-3H3
InChIKeyLEBXINOWENWRBD-UHFFFAOYSA-N
XLogP-0.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The IUPAC name of N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide (CID 87722828) is N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide.
What is the SMILES notation for N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The canonical SMILES for N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide is C#CC(C)(C)NS(=O)(=O)N1CCOC1=O.
What is the InChIKey of N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
The InChIKey is LEBXINOWENWRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-4-8(2,3)9-15(12,13)10-5-6-14-7(10)11/h1,9H,5-6H2,2-3H3.
What are the key properties of N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide?
N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbut-3-yn-2-yl)-2-oxo-1,3-oxazolidine-3-sulfonamide is sourced from PubChem (CID 87722828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).