1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide

C8H18BrNO2S — CID 83086589

IUPAC1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-4-8(5-2,6-3)10-13(11,12)7-9/h10H,4-7H2,1-3H3
InChIKeyARMIGQNLSUVKHS-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.23
Rot. Bonds6

About 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide

1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide (PubChem CID 83086589) has the molecular formula C8H18BrNO2S and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide
PubChem CID83086589
Molecular FormulaC8H18BrNO2S
Molecular Weight272.21 g/mol
Exact Mass271.02
IUPAC Name1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide
SMILESCCC(CC)(CC)NS(=O)(=O)CBr
InChIInChI=1S/C8H18BrNO2S/c1-4-8(5-2,6-3)10-13(11,12)7-9/h10H,4-7H2,1-3H3
InChIKeyARMIGQNLSUVKHS-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylpentan-3-yl)methanesulfonamide
CID 65042972
N-[3-(bromomethyl)pentan-3-yl]-1-methylsulfonylmethanesulfonamide
CID 82841993
1-bromo-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
CID 83084423
1-bromo-N-(2-methylbutan-2-yl)methanesulfonamide
CID 83084837
1-bromo-N-tert-butylmethanesulfonamide
CID 83084939
1-bromo-N-(2-methylpentan-2-yl)methanesulfonamide
CID 104099198
1-bromo-N-(3-methylpentan-3-yl)methanesulfonamide
CID 104099232
1-bromo-N-(1-ethylcyclobutyl)methanesulfonamide
CID 104099349
N-(1-bromo-3-methylpentan-3-yl)butane-1-sulfonamide
CID 106169847
N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-2-sulfonamide
CID 106169866
N-(1-bromo-3-methylpentan-3-yl)-2-methylpropane-1-sulfonamide
CID 106169875
N-(1-bromo-3-methylpentan-3-yl)ethanesulfonamide
CID 106169923

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide (CID 83086589) is 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide is CCC(CC)(CC)NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide?
The InChIKey is ARMIGQNLSUVKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrNO2S/c1-4-8(5-2,6-3)10-13(11,12)7-9/h10H,4-7H2,1-3H3.
What are the key properties of 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide?
1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide has a molecular weight of 272.21 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(3-ethylpentan-3-yl)methanesulfonamide is sourced from PubChem (CID 83086589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).