N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide

C11H20BrNO3S — CID 104522440

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC1CCCC1CBr)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-8(17(2,15)16)11(14)13-7-10-5-3-4-9(10)6-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyUYLFIZTZDIDXSF-UHFFFAOYSA-N
MW326.26 g/mol
LogP1.35
Rot. Bonds5

About N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide

N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide (PubChem CID 104522440) has the molecular formula C11H20BrNO3S and a molecular weight of 326.26 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
PubChem CID104522440
Molecular FormulaC11H20BrNO3S
Molecular Weight326.26 g/mol
Exact Mass325.03
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NCC1CCCC1CBr)S(C)(=O)=O
InChIInChI=1S/C11H20BrNO3S/c1-8(17(2,15)16)11(14)13-7-10-5-3-4-9(10)6-12/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyUYLFIZTZDIDXSF-UHFFFAOYSA-N
XLogP1.35
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide 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-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide (CID 104522440) is N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide is CC(C(=O)NCC1CCCC1CBr)S(C)(=O)=O.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
The InChIKey is UYLFIZTZDIDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3S/c1-8(17(2,15)16)11(14)13-7-10-5-3-4-9(10)6-12/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide has a molecular weight of 326.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 104522440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).