1-bromo-N-(5-methylhexyl)methanesulfonamide

C8H18BrNO2S — CID 83086197

IUPAC1-bromo-N-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-8(2)5-3-4-6-10-13(11,12)7-9/h8,10H,3-7H2,1-2H3
InChIKeyZWDBVAKNHNLDFE-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.08
Rot. Bonds7

About 1-bromo-N-(5-methylhexyl)methanesulfonamide

1-bromo-N-(5-methylhexyl)methanesulfonamide (PubChem CID 83086197) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-bromo-N-(5-methylhexyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(5-methylhexyl)methanesulfonamide
PubChem CID83086197
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC Name1-bromo-N-(5-methylhexyl)methanesulfonamide
SMILESCC(C)CCCCNS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-8(2)5-3-4-6-10-13(11,12)7-9/h8,10H,3-7H2,1-2H3
InChIKeyZWDBVAKNHNLDFE-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(5-methylhexyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(5-methylhexyl)methanesulfonamide (CID 83086197) is 1-bromo-N-(5-methylhexyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(5-methylhexyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(5-methylhexyl)methanesulfonamide is CC(C)CCCCNS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(5-methylhexyl)methanesulfonamide?
The InChIKey is ZWDBVAKNHNLDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-8(2)5-3-4-6-10-13(11,12)7-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-bromo-N-(5-methylhexyl)methanesulfonamide?
1-bromo-N-(5-methylhexyl)methanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(5-methylhexyl)methanesulfonamide is sourced from PubChem (CID 83086197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).