1-bromo-3-(dimethylsulfamoylamino)butane

C6H15BrN2O2S — CID 83178686

IUPAC1-bromo-3-(dimethylsulfamoylamino)butane
SMILESCC(CCBr)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H15BrN2O2S/c1-6(4-5-7)8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyWOUZWNQGUBNOCI-UHFFFAOYSA-N
MW259.17 g/mol
LogP0.56
Rot. Bonds5

About 1-bromo-3-(dimethylsulfamoylamino)butane

1-bromo-3-(dimethylsulfamoylamino)butane (PubChem CID 83178686) has the molecular formula C6H15BrN2O2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 1-bromo-3-(dimethylsulfamoylamino)butane.

Molecular Properties

Compound Name1-bromo-3-(dimethylsulfamoylamino)butane
PubChem CID83178686
Molecular FormulaC6H15BrN2O2S
Molecular Weight259.17 g/mol
Exact Mass258.00
IUPAC Name1-bromo-3-(dimethylsulfamoylamino)butane
SMILESCC(CCBr)NS(=O)(=O)N(C)C
InChIInChI=1S/C6H15BrN2O2S/c1-6(4-5-7)8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3
InChIKeyWOUZWNQGUBNOCI-UHFFFAOYSA-N
XLogP0.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylsulfamoylamino)pentane
CID 4635587
4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane
CID 114295067
N-(4-bromobutan-2-yl)cyclopropanesulfonamide
CID 83180222
2-(dimethylsulfamoylamino)-1-hydroxy-3-methylbutane
CID 79022091
1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
CID 106118384
3-(dimethylsulfamoylamino)pentane
CID 3288703
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
N-(4-bromobutan-2-yl)-4-methoxybenzenesulfonamide
CID 83180710
1-bromo-N-(5-methylhexan-2-yl)methanesulfonamide
CID 83092799
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
N-(4-bromobutan-2-yl)naphthalene-1-sulfonamide
CID 114795686

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(dimethylsulfamoylamino)butane?
The IUPAC name of 1-bromo-3-(dimethylsulfamoylamino)butane (CID 83178686) is 1-bromo-3-(dimethylsulfamoylamino)butane.
What is the SMILES notation for 1-bromo-3-(dimethylsulfamoylamino)butane?
The canonical SMILES for 1-bromo-3-(dimethylsulfamoylamino)butane is CC(CCBr)NS(=O)(=O)N(C)C.
What is the InChIKey of 1-bromo-3-(dimethylsulfamoylamino)butane?
The InChIKey is WOUZWNQGUBNOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BrN2O2S/c1-6(4-5-7)8-12(10,11)9(2)3/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-bromo-3-(dimethylsulfamoylamino)butane?
1-bromo-3-(dimethylsulfamoylamino)butane has a molecular weight of 259.17 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(dimethylsulfamoylamino)butane is sourced from PubChem (CID 83178686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).