N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide

C10H22BrNO2S — CID 107322937

IUPACN-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCCCCCBr
InChIInChI=1S/C10H22BrNO2S/c1-10(2,3)9-15(13,14)12-8-6-4-5-7-11/h12H,4-9H2,1-3H3
InChIKeyZFEXCCARFUIDJK-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.52
Rot. Bonds7

About N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide

N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 107322937) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID107322937
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC NameN-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCCCCCBr
InChIInChI=1S/C10H22BrNO2S/c1-10(2,3)9-15(13,14)12-8-6-4-5-7-11/h12H,4-9H2,1-3H3
InChIKeyZFEXCCARFUIDJK-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.52
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-(4-bromobutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106846746
N-(5-bromopentyl)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-hex-5-ynyl-2,2-dimethylpropane-1-sulfonamide
CID 106210034
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
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(6-bromohexyl)-1-cyclopropylmethanesulfonamide
CID 107848846
N-(6-bromohexyl)-2-phenylpropane-1-sulfonamide
CID 107848755
N-(6-bromohexyl)-1,1-difluoromethanesulfonamide
CID 107848811
N-(3-bromo-4-methoxybutyl)-2,2-dimethylpropane-1-sulfonamide
CID 106245673

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide (CID 107322937) is N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is ZFEXCCARFUIDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-10(2,3)9-15(13,14)12-8-6-4-5-7-11/h12H,4-9H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide?
N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 107322937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).