N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide

C9H20BrNO2S — CID 106846746

IUPACN-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-9(2,3)8-14(12,13)11-7-5-4-6-10/h11H,4-8H2,1-3H3
InChIKeyCWVNKVMCVHMVSL-UHFFFAOYSA-N
MW286.24 g/mol
LogP2.13
Rot. Bonds6

About N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide

N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 106846746) has the molecular formula C9H20BrNO2S and a molecular weight of 286.24 g/mol. Its IUPAC name is N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID106846746
Molecular FormulaC9H20BrNO2S
Molecular Weight286.24 g/mol
Exact Mass285.04
IUPAC NameN-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCCCCBr
InChIInChI=1S/C9H20BrNO2S/c1-9(2,3)8-14(12,13)11-7-5-4-6-10/h11H,4-8H2,1-3H3
InChIKeyCWVNKVMCVHMVSL-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 52.13
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

N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
CID 107322937
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-(5-bromopentyl)butane-1-sulfonamide
CID 107323070
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
N-(5-bromopentyl)methanesulfonamide
CID 107323102
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(3-bromo-4-methoxybutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106245673
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
3-(2,2-dimethylpropylsulfonylamino)-N'-hydroxypropanimidamide
CID 77045072

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide (CID 106846746) is N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is CWVNKVMCVHMVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrNO2S/c1-9(2,3)8-14(12,13)11-7-5-4-6-10/h11H,4-8H2,1-3H3.
What are the key properties of N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide?
N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 286.24 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 106846746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).