N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide

C8H13BrN2O2S — CID 80662054

IUPACN-(2-bromocyclopentyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H13BrN2O2S/c1-6(5-10)14(12,13)11-8-4-2-3-7(8)9/h6-8,11H,2-4H2,1H3
InChIKeySKRVFERRTPYPSM-UHFFFAOYSA-N
MW281.18 g/mol
LogP1.13
Rot. Bonds3

About N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide

N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide (PubChem CID 80662054) has the molecular formula C8H13BrN2O2S and a molecular weight of 281.18 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1-cyanoethanesulfonamide
PubChem CID80662054
Molecular FormulaC8H13BrN2O2S
Molecular Weight281.18 g/mol
Exact Mass279.99
IUPAC NameN-(2-bromocyclopentyl)-1-cyanoethanesulfonamide
SMILESCC(C#N)S(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C8H13BrN2O2S/c1-6(5-10)14(12,13)11-8-4-2-3-7(8)9/h6-8,11H,2-4H2,1H3
InChIKeySKRVFERRTPYPSM-UHFFFAOYSA-N
XLogP1.13
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide (CID 80662054) is N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide is CC(C#N)S(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide?
The InChIKey is SKRVFERRTPYPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2S/c1-6(5-10)14(12,13)11-8-4-2-3-7(8)9/h6-8,11H,2-4H2,1H3.
What are the key properties of N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide?
N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide has a molecular weight of 281.18 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-1-cyanoethanesulfonamide is sourced from PubChem (CID 80662054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).