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

C10H18BrNO3S — CID 106366596

IUPACN-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCC1CBr)S(C)(=O)=O
InChIInChI=1S/C10H18BrNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(9)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyMMJYPKCGGOITPH-UHFFFAOYSA-N
MW312.23 g/mol
LogP1.10
Rot. Bonds4

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

N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide (PubChem CID 106366596) has the molecular formula C10H18BrNO3S and a molecular weight of 312.23 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
PubChem CID106366596
Molecular FormulaC10H18BrNO3S
Molecular Weight312.23 g/mol
Exact Mass311.02
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide
SMILESCC(C(=O)NC1CCCC1CBr)S(C)(=O)=O
InChIInChI=1S/C10H18BrNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(9)6-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyMMJYPKCGGOITPH-UHFFFAOYSA-N
XLogP1.10
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 51.10
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]-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

Related Compounds

N-[2-(hydroxymethyl)cyclohexyl]-2-methylsulfonylpropanamide
CID 103798336
N-[[2-(bromomethyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 104522440
(2R)-N-[(1R,2R)-2-benzylcyclohexyl]-2-methylsulfonylpropanamide
CID 96532946
N-[2-(bromomethyl)cyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 106366495
N-[2-(bromomethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179456
2-methylsulfonyl-N-(2-phenylcyclohexyl)propanamide
CID 75420632
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723
N-[2-(bromomethyl)cyclopentyl]-2-cyclopentylacetamide
CID 106366407
N-[(2-bromocyclohexyl)methyl]-2-methylsulfonylpropanamide
CID 104522412
N-[2-(bromomethyl)cyclohexyl]-3,3-difluorocyclopentane-1-carboxamide
CID 114226705
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
propan-2-yl N-[[2-(bromomethyl)cyclohexyl]sulfamoyl]carbamate
CID 114179792

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide (CID 106366596) is N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide is CC(C(=O)NC1CCCC1CBr)S(C)(=O)=O.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide?
The InChIKey is MMJYPKCGGOITPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3S/c1-7(16(2,14)15)10(13)12-9-5-3-4-8(9)6-11/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide?
N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide has a molecular weight of 312.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 106366596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).