4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane

C7H17BrN2O2S — CID 114295067

IUPAC4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane
SMILESCC(CCBr)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H17BrN2O2S/c1-7(4-5-8)6-9-13(11,12)10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyKVZFFFVTSLTSPD-UHFFFAOYSA-N
MW273.20 g/mol
LogP0.80
Rot. Bonds6

About 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane

4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane (PubChem CID 114295067) has the molecular formula C7H17BrN2O2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane.

Molecular Properties

Compound Name4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane
PubChem CID114295067
Molecular FormulaC7H17BrN2O2S
Molecular Weight273.20 g/mol
Exact Mass272.02
IUPAC Name4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane
SMILESCC(CCBr)CNS(=O)(=O)N(C)C
InChIInChI=1S/C7H17BrN2O2S/c1-7(4-5-8)6-9-13(11,12)10(2)3/h7,9H,4-6H2,1-3H3
InChIKeyKVZFFFVTSLTSPD-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 50.80
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

1-bromo-3-[(dimethylsulfamoylamino)methyl]hexane
CID 106118384
1-chloro-3-(dimethylsulfamoylamino)-2-methylpropane
CID 65036782
1-bromo-3-(dimethylsulfamoylamino)butane
CID 83178686
1-(dimethylsulfamoylamino)-2-(methylamino)propane
CID 103512554
2,5-dibromo-N-(4-bromo-2-methylbutyl)benzenesulfonamide
CID 114295168
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(4-bromo-2-methylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 113271251
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
N-(4-bromo-2-methylbutyl)-3,4-dimethylbenzenesulfonamide
CID 114295021
1-(dimethylsulfamoylamino)-2-oxoethane
CID 21087159
5-bromo-N-(4-bromo-2-methylbutyl)-4-methylthiophene-2-sulfonamide
CID 114295146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane?
The IUPAC name of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane (CID 114295067) is 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane.
What is the SMILES notation for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane?
The canonical SMILES for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane is CC(CCBr)CNS(=O)(=O)N(C)C.
What is the InChIKey of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane?
The InChIKey is KVZFFFVTSLTSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17BrN2O2S/c1-7(4-5-8)6-9-13(11,12)10(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane?
4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane has a molecular weight of 273.20 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(dimethylsulfamoylamino)-2-methylbutane is sourced from PubChem (CID 114295067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).