2-chloroethylsulfonylmethylcyclopentane

C8H15ClO2S — CID 63118869

IUPAC2-chloroethylsulfonylmethylcyclopentane
SMILESO=S(=O)(CCCl)CC1CCCC1
InChIInChI=1S/C8H15ClO2S/c9-5-6-12(10,11)7-8-3-1-2-4-8/h8H,1-7H2
InChIKeyZRHXAHQVIMESBC-UHFFFAOYSA-N
MW210.73 g/mol
LogP1.83
Rot. Bonds4

About 2-chloroethylsulfonylmethylcyclopentane

2-chloroethylsulfonylmethylcyclopentane (PubChem CID 63118869) has the molecular formula C8H15ClO2S and a molecular weight of 210.73 g/mol. Its IUPAC name is 2-chloroethylsulfonylmethylcyclopentane.

Molecular Properties

Compound Name2-chloroethylsulfonylmethylcyclopentane
PubChem CID63118869
Molecular FormulaC8H15ClO2S
Molecular Weight210.73 g/mol
Exact Mass210.05
IUPAC Name2-chloroethylsulfonylmethylcyclopentane
SMILESO=S(=O)(CCCl)CC1CCCC1
InChIInChI=1S/C8H15ClO2S/c9-5-6-12(10,11)7-8-3-1-2-4-8/h8H,1-7H2
InChIKeyZRHXAHQVIMESBC-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.73
LogP ≤ 51.83
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 2-chloroethylsulfonylmethylcyclopentane?
The IUPAC name of 2-chloroethylsulfonylmethylcyclopentane (CID 63118869) is 2-chloroethylsulfonylmethylcyclopentane.
What is the SMILES notation for 2-chloroethylsulfonylmethylcyclopentane?
The canonical SMILES for 2-chloroethylsulfonylmethylcyclopentane is O=S(=O)(CCCl)CC1CCCC1.
What is the InChIKey of 2-chloroethylsulfonylmethylcyclopentane?
The InChIKey is ZRHXAHQVIMESBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2S/c9-5-6-12(10,11)7-8-3-1-2-4-8/h8H,1-7H2.
What are the key properties of 2-chloroethylsulfonylmethylcyclopentane?
2-chloroethylsulfonylmethylcyclopentane has a molecular weight of 210.73 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethylsulfonylmethylcyclopentane is sourced from PubChem (CID 63118869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).