N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide

C7H11BrN2O2S — CID 80661543

IUPACN-(2-bromocyclopentyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C7H11BrN2O2S/c8-6-2-1-3-7(6)10-13(11,12)5-4-9/h6-7,10H,1-3,5H2
InChIKeyXVDYSNMCIDBLAR-UHFFFAOYSA-N
MW267.15 g/mol
LogP0.75
Rot. Bonds3

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

N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide (PubChem CID 80661543) has the molecular formula C7H11BrN2O2S and a molecular weight of 267.15 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-1-cyanomethanesulfonamide
PubChem CID80661543
Molecular FormulaC7H11BrN2O2S
Molecular Weight267.15 g/mol
Exact Mass265.97
IUPAC NameN-(2-bromocyclopentyl)-1-cyanomethanesulfonamide
SMILESN#CCS(=O)(=O)NC1CCCC1Br
InChIInChI=1S/C7H11BrN2O2S/c8-6-2-1-3-7(6)10-13(11,12)5-4-9/h6-7,10H,1-3,5H2
InChIKeyXVDYSNMCIDBLAR-UHFFFAOYSA-N
XLogP0.75
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 50.75
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-cyanomethanesulfonamide?
The IUPAC name of N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide (CID 80661543) is N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide?
The canonical SMILES for N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide is N#CCS(=O)(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide?
The InChIKey is XVDYSNMCIDBLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2S/c8-6-2-1-3-7(6)10-13(11,12)5-4-9/h6-7,10H,1-3,5H2.
What are the key properties of N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide?
N-(2-bromocyclopentyl)-1-cyanomethanesulfonamide has a molecular weight of 267.15 g/mol, XLogP of 0.75, 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-cyanomethanesulfonamide is sourced from PubChem (CID 80661543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).