1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane

C11H21ClO2S — CID 106732576

IUPAC1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
SMILESCCCS(=O)(=O)CCC1CCC(Cl)C1C
InChIInChI=1S/C11H21ClO2S/c1-3-7-15(13,14)8-6-10-4-5-11(12)9(10)2/h9-11H,3-8H2,1-2H3
InChIKeyQOBJMKHSWQPNND-UHFFFAOYSA-N
MW252.81 g/mol
LogP2.85
Rot. Bonds5

About 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane

1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane (PubChem CID 106732576) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane.

Molecular Properties

Compound Name1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
PubChem CID106732576
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
SMILESCCCS(=O)(=O)CCC1CCC(Cl)C1C
InChIInChI=1S/C11H21ClO2S/c1-3-7-15(13,14)8-6-10-4-5-11(12)9(10)2/h9-11H,3-8H2,1-2H3
InChIKeyQOBJMKHSWQPNND-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'}

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Related Compounds

N,2-dimethyl-3-(2-propylsulfonylethyl)cyclopentan-1-amine
CID 106732386
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
CID 106732469
1-chloro-2-methyl-3-(2-methylsulfinylethyl)cyclopentane
CID 130791891
N-[[4-ethyl-2-(2-propylsulfonylethyl)cyclohexyl]methyl]cyclopropanamine
CID 106735608
1-chloro-3-(2-propylsulfonylethyl)cyclohexane
CID 106732493
1-propylsulfonylpropane
CID 11709
[2-(2-ethylsulfonylethyl)cyclobutyl]methanamine
CID 106735365
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490
3-chloro-4-(2-ethylsulfonylethyl)thiolane
CID 83190062
1-chloro-2-methyl-3-(3-methylbut-3-enyl)cyclopentane
CID 114477384

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane?
The IUPAC name of 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane (CID 106732576) is 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane.
What is the SMILES notation for 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane?
The canonical SMILES for 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane is CCCS(=O)(=O)CCC1CCC(Cl)C1C.
What is the InChIKey of 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane?
The InChIKey is QOBJMKHSWQPNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-3-7-15(13,14)8-6-10-4-5-11(12)9(10)2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane?
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane 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-2-methyl-3-(2-propylsulfonylethyl)cyclopentane is sourced from PubChem (CID 106732576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).