1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane

C10H19ClO2S — CID 65095680

IUPAC1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane
SMILESCCS(=O)(=O)CCCC1CCCC1Cl
InChIInChI=1S/C10H19ClO2S/c1-2-14(12,13)8-4-6-9-5-3-7-10(9)11/h9-10H,2-8H2,1H3
InChIKeyITNAOLPZCJHAFR-UHFFFAOYSA-N
MW238.78 g/mol
LogP2.61
Rot. Bonds5

About 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane

1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane (PubChem CID 65095680) has the molecular formula C10H19ClO2S and a molecular weight of 238.78 g/mol. Its IUPAC name is 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane
PubChem CID65095680
Molecular FormulaC10H19ClO2S
Molecular Weight238.78 g/mol
Exact Mass238.08
IUPAC Name1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane
SMILESCCS(=O)(=O)CCCC1CCCC1Cl
InChIInChI=1S/C10H19ClO2S/c1-2-14(12,13)8-4-6-9-5-3-7-10(9)11/h9-10H,2-8H2,1H3
InChIKeyITNAOLPZCJHAFR-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 52.61
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-2-(3-ethylsulfonylpropyl)cyclopentane?
The IUPAC name of 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane (CID 65095680) is 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane.
What is the SMILES notation for 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane?
The canonical SMILES for 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane is CCS(=O)(=O)CCCC1CCCC1Cl.
What is the InChIKey of 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane?
The InChIKey is ITNAOLPZCJHAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO2S/c1-2-14(12,13)8-4-6-9-5-3-7-10(9)11/h9-10H,2-8H2,1H3.
What are the key properties of 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane?
1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane has a molecular weight of 238.78 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-ethylsulfonylpropyl)cyclopentane is sourced from PubChem (CID 65095680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).