1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane

C12H21BrO2S — CID 65001521

IUPAC1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane
SMILESO=S(=O)(CC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C12H21BrO2S/c13-9-12(7-3-4-8-12)10-16(14,15)11-5-1-2-6-11/h11H,1-10H2
InChIKeyVVCQPXOLSKMFPJ-UHFFFAOYSA-N
MW309.27 g/mol
LogP3.30
Rot. Bonds4

About 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane

1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane (PubChem CID 65001521) has the molecular formula C12H21BrO2S and a molecular weight of 309.27 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane
PubChem CID65001521
Molecular FormulaC12H21BrO2S
Molecular Weight309.27 g/mol
Exact Mass308.04
IUPAC Name1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane
SMILESO=S(=O)(CC1(CBr)CCCC1)C1CCCC1
InChIInChI=1S/C12H21BrO2S/c13-9-12(7-3-4-8-12)10-16(14,15)11-5-1-2-6-11/h11H,1-10H2
InChIKeyVVCQPXOLSKMFPJ-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.27
LogP ≤ 53.30
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 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane (CID 65001521) is 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane is O=S(=O)(CC1(CBr)CCCC1)C1CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane?
The InChIKey is VVCQPXOLSKMFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO2S/c13-9-12(7-3-4-8-12)10-16(14,15)11-5-1-2-6-11/h11H,1-10H2.
What are the key properties of 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane?
1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane has a molecular weight of 309.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(cyclopentylsulfonylmethyl)cyclopentane is sourced from PubChem (CID 65001521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).