1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane

C9H17ClO2S — CID 66036028

IUPAC1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane
SMILESCS(=O)(=O)CCC1(CCl)CCCC1
InChIInChI=1S/C9H17ClO2S/c1-13(11,12)7-6-9(8-10)4-2-3-5-9/h2-8H2,1H3
InChIKeyCVBLRBOMBLDOCB-UHFFFAOYSA-N
MW224.75 g/mol
LogP2.22
Rot. Bonds4

About 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane

1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane (PubChem CID 66036028) has the molecular formula C9H17ClO2S and a molecular weight of 224.75 g/mol. Its IUPAC name is 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane
PubChem CID66036028
Molecular FormulaC9H17ClO2S
Molecular Weight224.75 g/mol
Exact Mass224.06
IUPAC Name1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane
SMILESCS(=O)(=O)CCC1(CCl)CCCC1
InChIInChI=1S/C9H17ClO2S/c1-13(11,12)7-6-9(8-10)4-2-3-5-9/h2-8H2,1H3
InChIKeyCVBLRBOMBLDOCB-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.75
LogP ≤ 52.22
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-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane?
The IUPAC name of 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane (CID 66036028) is 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane is CS(=O)(=O)CCC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane?
The InChIKey is CVBLRBOMBLDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2S/c1-13(11,12)7-6-9(8-10)4-2-3-5-9/h2-8H2,1H3.
What are the key properties of 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane?
1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane has a molecular weight of 224.75 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-(2-methylsulfonylethyl)cyclopentane is sourced from PubChem (CID 66036028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).