N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide

C9H16BrNO3S — CID 114311353

IUPACN-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C9H16BrNO3S/c1-15(13,14)6-8(12)11-9(7-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12)
InChIKeyHCKNVTDTZYUSGL-UHFFFAOYSA-N
MW298.20 g/mol
LogP0.85
Rot. Bonds4

About N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide

N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide (PubChem CID 114311353) has the molecular formula C9H16BrNO3S and a molecular weight of 298.20 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide
PubChem CID114311353
Molecular FormulaC9H16BrNO3S
Molecular Weight298.20 g/mol
Exact Mass297.00
IUPAC NameN-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)NC1(CBr)CCCC1
InChIInChI=1S/C9H16BrNO3S/c1-15(13,14)6-8(12)11-9(7-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12)
InChIKeyHCKNVTDTZYUSGL-UHFFFAOYSA-N
XLogP0.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.20
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide?
The IUPAC name of N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide (CID 114311353) is N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)NC1(CBr)CCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide?
The InChIKey is HCKNVTDTZYUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO3S/c1-15(13,14)6-8(12)11-9(7-10)4-2-3-5-9/h2-7H2,1H3,(H,11,12).
What are the key properties of N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide?
N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide has a molecular weight of 298.20 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopentyl]-2-methylsulfonylacetamide is sourced from PubChem (CID 114311353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).