1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide

C6H8BrN3O3S — CID 83084063

IUPAC1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1nnc(C2CC2)o1
InChIInChI=1S/C6H8BrN3O3S/c7-3-14(11,12)10-6-9-8-5(13-6)4-1-2-4/h4H,1-3H2,(H,9,10)
InChIKeyMCTVHSCUUDULQG-UHFFFAOYSA-N
MW282.12 g/mol
LogP1.04
Rot. Bonds4

About 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide

1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide (PubChem CID 83084063) has the molecular formula C6H8BrN3O3S and a molecular weight of 282.12 g/mol. Its IUPAC name is 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
PubChem CID83084063
Molecular FormulaC6H8BrN3O3S
Molecular Weight282.12 g/mol
Exact Mass280.95
IUPAC Name1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1nnc(C2CC2)o1
InChIInChI=1S/C6H8BrN3O3S/c7-3-14(11,12)10-6-9-8-5(13-6)4-1-2-4/h4H,1-3H2,(H,9,10)
InChIKeyMCTVHSCUUDULQG-UHFFFAOYSA-N
XLogP1.04
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide (CID 83084063) is 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide is O=S(=O)(CBr)Nc1nnc(C2CC2)o1.
What is the InChIKey of 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
The InChIKey is MCTVHSCUUDULQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3O3S/c7-3-14(11,12)10-6-9-8-5(13-6)4-1-2-4/h4H,1-3H2,(H,9,10).
What are the key properties of 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide?
1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide has a molecular weight of 282.12 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 83084063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).