N-(5-bromopentyl)methanesulfonamide

C6H14BrNO2S — CID 107323102

IUPACN-(5-bromopentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C6H14BrNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3
InChIKeyKQODZNHYKQJDDJ-UHFFFAOYSA-N
MW244.15 g/mol
LogP1.10
Rot. Bonds6

About N-(5-bromopentyl)methanesulfonamide

N-(5-bromopentyl)methanesulfonamide (PubChem CID 107323102) has the molecular formula C6H14BrNO2S and a molecular weight of 244.15 g/mol. Its IUPAC name is N-(5-bromopentyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-bromopentyl)methanesulfonamide
PubChem CID107323102
Molecular FormulaC6H14BrNO2S
Molecular Weight244.15 g/mol
Exact Mass242.99
IUPAC NameN-(5-bromopentyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCCBr
InChIInChI=1S/C6H14BrNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3
InChIKeyKQODZNHYKQJDDJ-UHFFFAOYSA-N
XLogP1.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.15
LogP ≤ 51.10
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)-1-methylsulfonylmethanesulfonamide
CID 107323115
N-(5-chloropentyl)methanesulfonamide
CID 107322792
N-(5-iodopentyl)methanesulfonamide
CID 107322901
1-bromo-6-(dimethylsulfamoylamino)hexane
CID 107848878
N-(5-methoxypentyl)methanesulfonamide
CID 103632034
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
6-bromo-N-(2-methylsulfonylethyl)hexan-1-amine
CID 107844608
5-bromo-N-(2-methylsulfonylethyl)pentan-1-amine
CID 107320276
N-(5-bromopentyl)-2-methoxyethanesulfonamide
CID 107323052
N-(3-aminopropyl)methanesulfonamide
CID 18350602

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)methanesulfonamide?
The IUPAC name of N-(5-bromopentyl)methanesulfonamide (CID 107323102) is N-(5-bromopentyl)methanesulfonamide.
What is the SMILES notation for N-(5-bromopentyl)methanesulfonamide?
The canonical SMILES for N-(5-bromopentyl)methanesulfonamide is CS(=O)(=O)NCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)methanesulfonamide?
The InChIKey is KQODZNHYKQJDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO2S/c1-11(9,10)8-6-4-2-3-5-7/h8H,2-6H2,1H3.
What are the key properties of N-(5-bromopentyl)methanesulfonamide?
N-(5-bromopentyl)methanesulfonamide has a molecular weight of 244.15 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)methanesulfonamide is sourced from PubChem (CID 107323102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).