N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide

C9H18BrNO3S — CID 80662339

IUPACN-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO3S/c1-2-14-6-7-15(12,13)11-9-5-3-4-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyCOHOFYYPYYKEEG-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.26
Rot. Bonds6

About N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide

N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide (PubChem CID 80662339) has the molecular formula C9H18BrNO3S and a molecular weight of 300.22 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide
PubChem CID80662339
Molecular FormulaC9H18BrNO3S
Molecular Weight300.22 g/mol
Exact Mass299.02
IUPAC NameN-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C9H18BrNO3S/c1-2-14-6-7-15(12,13)11-9-5-3-4-8(9)10/h8-9,11H,2-7H2,1H3
InChIKeyCOHOFYYPYYKEEG-UHFFFAOYSA-N
XLogP1.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide (CID 80662339) is N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide?
The InChIKey is COHOFYYPYYKEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3S/c1-2-14-6-7-15(12,13)11-9-5-3-4-8(9)10/h8-9,11H,2-7H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide?
N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide has a molecular weight of 300.22 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 80662339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).