1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide

C10H22BrNO2S — CID 83086909

IUPAC1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide
SMILESCCCCCC(C)(C)CNS(=O)(=O)CBr
InChIInChI=1S/C10H22BrNO2S/c1-4-5-6-7-10(2,3)8-12-15(13,14)9-11/h12H,4-9H2,1-3H3
InChIKeyDBYIFWSHKGHQBA-UHFFFAOYSA-N
MW300.26 g/mol
LogP2.86
Rot. Bonds8

About 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide

1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide (PubChem CID 83086909) has the molecular formula C10H22BrNO2S and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide
PubChem CID83086909
Molecular FormulaC10H22BrNO2S
Molecular Weight300.26 g/mol
Exact Mass299.06
IUPAC Name1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide
SMILESCCCCCC(C)(C)CNS(=O)(=O)CBr
InChIInChI=1S/C10H22BrNO2S/c1-4-5-6-7-10(2,3)8-12-15(13,14)9-11/h12H,4-9H2,1-3H3
InChIKeyDBYIFWSHKGHQBA-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.86
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-(2,2-dimethylheptyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide (CID 83086909) is 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide is CCCCCC(C)(C)CNS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide?
The InChIKey is DBYIFWSHKGHQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrNO2S/c1-4-5-6-7-10(2,3)8-12-15(13,14)9-11/h12H,4-9H2,1-3H3.
What are the key properties of 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide?
1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide has a molecular weight of 300.26 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,2-dimethylheptyl)methanesulfonamide is sourced from PubChem (CID 83086909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).