N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide

C8H16BrNO2S — CID 80670160

IUPACN-(2-bromoethyl)-N-cyclopentylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyWAUQPXHDQPQQDQ-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.59
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide

N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide (PubChem CID 80670160) has the molecular formula C8H16BrNO2S and a molecular weight of 270.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentylmethanesulfonamide
PubChem CID80670160
Molecular FormulaC8H16BrNO2S
Molecular Weight270.19 g/mol
Exact Mass269.01
IUPAC NameN-(2-bromoethyl)-N-cyclopentylmethanesulfonamide
SMILESCS(=O)(=O)N(CCBr)C1CCCC1
InChIInChI=1S/C8H16BrNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3
InChIKeyWAUQPXHDQPQQDQ-UHFFFAOYSA-N
XLogP1.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromoethyl)-N-cyclopentylmethanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide (CID 80670160) is N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide is CS(=O)(=O)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide?
The InChIKey is WAUQPXHDQPQQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16BrNO2S/c1-13(11,12)10(7-6-9)8-4-2-3-5-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide?
N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide has a molecular weight of 270.19 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentylmethanesulfonamide is sourced from PubChem (CID 80670160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).