1-bromo-6-(dimethylsulfamoylamino)hexane

C8H19BrN2O2S — CID 107848878

IUPAC1-bromo-6-(dimethylsulfamoylamino)hexane
SMILESCN(C)S(=O)(=O)NCCCCCCBr
InChIInChI=1S/C8H19BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-8H2,1-2H3
InChIKeyJBQRTDCXNAMSGX-UHFFFAOYSA-N
MW287.22 g/mol
LogP1.34
Rot. Bonds8

About 1-bromo-6-(dimethylsulfamoylamino)hexane

1-bromo-6-(dimethylsulfamoylamino)hexane (PubChem CID 107848878) has the molecular formula C8H19BrN2O2S and a molecular weight of 287.22 g/mol. Its IUPAC name is 1-bromo-6-(dimethylsulfamoylamino)hexane.

Molecular Properties

Compound Name1-bromo-6-(dimethylsulfamoylamino)hexane
PubChem CID107848878
Molecular FormulaC8H19BrN2O2S
Molecular Weight287.22 g/mol
Exact Mass286.04
IUPAC Name1-bromo-6-(dimethylsulfamoylamino)hexane
SMILESCN(C)S(=O)(=O)NCCCCCCBr
InChIInChI=1S/C8H19BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-8H2,1-2H3
InChIKeyJBQRTDCXNAMSGX-UHFFFAOYSA-N
XLogP1.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-(dimethylsulfamoylamino)hexane
CID 107844568
N-(5-bromopentyl)methanesulfonamide
CID 107323102
1-bromo-3-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 61453557
1-cyano-4-(dimethylsulfamoylamino)butane
CID 63297084
5-(dimethylsulfamoylamino)pentanoic acid
CID 62034311
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
1-aminooxy-3-(dimethylsulfamoylamino)propane
CID 39239879
1-(dimethylsulfamoylamino)-2-hydroxyethane
CID 3657512
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-(6-bromohexyl)-1,1-difluoromethanesulfonamide
CID 107848811
5-(dimethylsulfamoylamino)-1-hydroxy-2-methylpentane
CID 103858830

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-(dimethylsulfamoylamino)hexane?
The IUPAC name of 1-bromo-6-(dimethylsulfamoylamino)hexane (CID 107848878) is 1-bromo-6-(dimethylsulfamoylamino)hexane.
What is the SMILES notation for 1-bromo-6-(dimethylsulfamoylamino)hexane?
The canonical SMILES for 1-bromo-6-(dimethylsulfamoylamino)hexane is CN(C)S(=O)(=O)NCCCCCCBr.
What is the InChIKey of 1-bromo-6-(dimethylsulfamoylamino)hexane?
The InChIKey is JBQRTDCXNAMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19BrN2O2S/c1-11(2)14(12,13)10-8-6-4-3-5-7-9/h10H,3-8H2,1-2H3.
What are the key properties of 1-bromo-6-(dimethylsulfamoylamino)hexane?
1-bromo-6-(dimethylsulfamoylamino)hexane has a molecular weight of 287.22 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-(dimethylsulfamoylamino)hexane is sourced from PubChem (CID 107848878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).