1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane

C10H19ClO2S — CID 106732577

IUPAC1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane
SMILESCCS(=O)(=O)CCC1CCC(Cl)C1C
InChIInChI=1S/C10H19ClO2S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-10H,3-7H2,1-2H3
InChIKeySWMBZUSKWUYJFC-UHFFFAOYSA-N
MW238.78 g/mol
LogP2.46
Rot. Bonds4

About 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane

1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane (PubChem CID 106732577) has the molecular formula C10H19ClO2S and a molecular weight of 238.78 g/mol. Its IUPAC name is 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane.

Molecular Properties

Compound Name1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane
PubChem CID106732577
Molecular FormulaC10H19ClO2S
Molecular Weight238.78 g/mol
Exact Mass238.08
IUPAC Name1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane
SMILESCCS(=O)(=O)CCC1CCC(Cl)C1C
InChIInChI=1S/C10H19ClO2S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-10H,3-7H2,1-2H3
InChIKeySWMBZUSKWUYJFC-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 52.46
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-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane?
The IUPAC name of 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane (CID 106732577) is 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane.
What is the SMILES notation for 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane?
The canonical SMILES for 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane is CCS(=O)(=O)CCC1CCC(Cl)C1C.
What is the InChIKey of 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane?
The InChIKey is SWMBZUSKWUYJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane?
1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane has a molecular weight of 238.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-ethylsulfonylethyl)-2-methylcyclopentane is sourced from PubChem (CID 106732577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).