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

C11H21ClO2S — CID 65097422

IUPAC1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane
SMILESCCS(=O)(=O)CCCC1CCC(Cl)C1C
InChIInChI=1S/C11H21ClO2S/c1-3-15(13,14)8-4-5-10-6-7-11(12)9(10)2/h9-11H,3-8H2,1-2H3
InChIKeyDKIOGNHXPVFRIS-UHFFFAOYSA-N
MW252.81 g/mol
LogP2.85
Rot. Bonds5

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

1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane (PubChem CID 65097422) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane.

Molecular Properties

Compound Name1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane
PubChem CID65097422
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane
SMILESCCS(=O)(=O)CCCC1CCC(Cl)C1C
InChIInChI=1S/C11H21ClO2S/c1-3-15(13,14)8-4-5-10-6-7-11(12)9(10)2/h9-11H,3-8H2,1-2H3
InChIKeyDKIOGNHXPVFRIS-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.81
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane?
The IUPAC name of 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane (CID 65097422) is 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane.
What is the SMILES notation for 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane?
The canonical SMILES for 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane is CCS(=O)(=O)CCCC1CCC(Cl)C1C.
What is the InChIKey of 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane?
The InChIKey is DKIOGNHXPVFRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-3-15(13,14)8-4-5-10-6-7-11(12)9(10)2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane?
1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane has a molecular weight of 252.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-ethylsulfonylpropyl)-2-methylcyclopentane is sourced from PubChem (CID 65097422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).