1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide

C6H14BrNO2S — CID 83084837

IUPAC1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)CBr
InChIInChI=1S/C6H14BrNO2S/c1-4-6(2,3)8-11(9,10)5-7/h8H,4-5H2,1-3H3
InChIKeyITQNVASKFIYDSK-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.45
Rot. Bonds4

About 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide

1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide (PubChem CID 83084837) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide
PubChem CID83084837
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC Name1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide
SMILESCCC(C)(C)NS(=O)(=O)CBr
InChIInChI=1S/C6H14BrNO2S/c1-4-6(2,3)8-11(9,10)5-7/h8H,4-5H2,1-3H3
InChIKeyITQNVASKFIYDSK-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methylbutan-2-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide (CID 83084837) is 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide is CCC(C)(C)NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide?
The InChIKey is ITQNVASKFIYDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-4-6(2,3)8-11(9,10)5-7/h8H,4-5H2,1-3H3.
What are the key properties of 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide?
1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide is sourced from PubChem (CID 83084837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).