1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane

C10H19BrO3S — CID 65001053

IUPAC1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane
SMILESCOCCS(=O)(=O)CC1(CBr)CCCC1
InChIInChI=1S/C10H19BrO3S/c1-14-6-7-15(12,13)9-10(8-11)4-2-3-5-10/h2-9H2,1H3
InChIKeyWEZJFALHLYMJLI-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.00
Rot. Bonds6

About 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane

1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane (PubChem CID 65001053) has the molecular formula C10H19BrO3S and a molecular weight of 299.23 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane
PubChem CID65001053
Molecular FormulaC10H19BrO3S
Molecular Weight299.23 g/mol
Exact Mass298.02
IUPAC Name1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane
SMILESCOCCS(=O)(=O)CC1(CBr)CCCC1
InChIInChI=1S/C10H19BrO3S/c1-14-6-7-15(12,13)9-10(8-11)4-2-3-5-10/h2-9H2,1H3
InChIKeyWEZJFALHLYMJLI-UHFFFAOYSA-N
XLogP2.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
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 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane (CID 65001053) is 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane is COCCS(=O)(=O)CC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane?
The InChIKey is WEZJFALHLYMJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3S/c1-14-6-7-15(12,13)9-10(8-11)4-2-3-5-10/h2-9H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane?
1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane has a molecular weight of 299.23 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-methoxyethylsulfonylmethyl)cyclopentane is sourced from PubChem (CID 65001053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).