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'}

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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).