N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide

C6H14BrNO4S2 — CID 82843395

IUPACN-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H14BrNO4S2/c1-6(2,4-7)8-14(11,12)5-13(3,9)10/h8H,4-5H2,1-3H3
InChIKeyFWKVRSBFSGLBQZ-UHFFFAOYSA-N
MW308.22 g/mol
LogP0.08
Rot. Bonds5

About N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide

N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide (PubChem CID 82843395) has the molecular formula C6H14BrNO4S2 and a molecular weight of 308.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide
PubChem CID82843395
Molecular FormulaC6H14BrNO4S2
Molecular Weight308.22 g/mol
Exact Mass306.95
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide
SMILESCC(C)(CBr)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H14BrNO4S2/c1-6(2,4-7)8-14(11,12)5-13(3,9)10/h8H,4-5H2,1-3H3
InChIKeyFWKVRSBFSGLBQZ-UHFFFAOYSA-N
XLogP0.08
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide (CID 82843395) is N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide is CC(C)(CBr)NS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide?
The InChIKey is FWKVRSBFSGLBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO4S2/c1-6(2,4-7)8-14(11,12)5-13(3,9)10/h8H,4-5H2,1-3H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide?
N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide has a molecular weight of 308.22 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82843395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).