1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane

C7H16Br2N2O2S — CID 107868283

IUPAC1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane
SMILESCCC(CBr)(CBr)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16Br2N2O2S/c1-4-7(5-8,6-9)10-14(12,13)11(2)3/h10H,4-6H2,1-3H3
InChIKeyKUSCSNJYBKJZLC-UHFFFAOYSA-N
MW352.09 g/mol
LogP1.32
Rot. Bonds6

About 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane

1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane (PubChem CID 107868283) has the molecular formula C7H16Br2N2O2S and a molecular weight of 352.09 g/mol. Its IUPAC name is 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane
PubChem CID107868283
Molecular FormulaC7H16Br2N2O2S
Molecular Weight352.09 g/mol
Exact Mass349.93
IUPAC Name1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane
SMILESCCC(CBr)(CBr)NS(=O)(=O)N(C)C
InChIInChI=1S/C7H16Br2N2O2S/c1-4-7(5-8,6-9)10-14(12,13)11(2)3/h10H,4-6H2,1-3H3
InChIKeyKUSCSNJYBKJZLC-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-bromo-2-(bromomethyl)butan-2-yl]cyclopropanesulfonamide
CID 107868291
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 107868265
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluorobenzenesulfonamide
CID 114011015
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2,4,6-trifluorobenzenesulfonamide
CID 107868321
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylbenzenesulfonamide
CID 107868257
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 107868301
5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
CID 107868332
N-[1-bromo-2-(bromomethyl)butan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 107868336
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 114011011
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106316226
N-[3-(bromomethyl)pentan-3-yl]-2-ethylbutanamide
CID 114315218
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-chloro-5-fluorobenzenesulfonamide
CID 107868294

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane?
The IUPAC name of 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane (CID 107868283) is 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane?
The canonical SMILES for 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane is CCC(CBr)(CBr)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane?
The InChIKey is KUSCSNJYBKJZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16Br2N2O2S/c1-4-7(5-8,6-9)10-14(12,13)11(2)3/h10H,4-6H2,1-3H3.
What are the key properties of 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane?
1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane has a molecular weight of 352.09 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(bromomethyl)-2-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 107868283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).