1-chloro-3-(2-propylsulfonylethyl)cyclohexane

C11H21ClO2S — CID 106732493

IUPAC1-chloro-3-(2-propylsulfonylethyl)cyclohexane
SMILESCCCS(=O)(=O)CCC1CCCC(Cl)C1
InChIInChI=1S/C11H21ClO2S/c1-2-7-15(13,14)8-6-10-4-3-5-11(12)9-10/h10-11H,2-9H2,1H3
InChIKeyBYDQXISCQMOCIN-UHFFFAOYSA-N
MW252.81 g/mol
LogP3.00
Rot. Bonds5

About 1-chloro-3-(2-propylsulfonylethyl)cyclohexane

1-chloro-3-(2-propylsulfonylethyl)cyclohexane (PubChem CID 106732493) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-chloro-3-(2-propylsulfonylethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-3-(2-propylsulfonylethyl)cyclohexane
PubChem CID106732493
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-chloro-3-(2-propylsulfonylethyl)cyclohexane
SMILESCCCS(=O)(=O)CCC1CCCC(Cl)C1
InChIInChI=1S/C11H21ClO2S/c1-2-7-15(13,14)8-6-10-4-3-5-11(12)9-10/h10-11H,2-9H2,1H3
InChIKeyBYDQXISCQMOCIN-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

1-chloro-3-propylcyclohexane
CID 64516368
1-chloro-3-(2-methylsulfonylethyl)cycloheptane
CID 64507071
1-(2-tert-butylsulfonylethyl)-3-chlorocycloheptane
CID 106732503
1-bromo-3-(2-propylsulfonylethyl)cyclopentane
CID 106732521
1-chloro-3-octylcycloheptane
CID 64508409
1-chloro-4-ethyl-2-(2-propylsulfonylethyl)cyclohexane
CID 106729101
1-chloro-3-(2-cyclohexylethyl)cyclohexane
CID 54510077
1-chloro-2-methyl-3-(2-propylsulfonylethyl)cyclopentane
CID 106732576
1-propylsulfonylpropane
CID 11709
N-methyl-4-propyl-2-(2-propylsulfonylethyl)cyclohexan-1-amine
CID 106727245
2-(2-propylsulfonylethyl)cyclobutan-1-amine
CID 106735337
N-[[2-(2-propylsulfonylethyl)cyclopentyl]methyl]propan-1-amine
CID 106735490

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-propylsulfonylethyl)cyclohexane?
The IUPAC name of 1-chloro-3-(2-propylsulfonylethyl)cyclohexane (CID 106732493) is 1-chloro-3-(2-propylsulfonylethyl)cyclohexane.
What is the SMILES notation for 1-chloro-3-(2-propylsulfonylethyl)cyclohexane?
The canonical SMILES for 1-chloro-3-(2-propylsulfonylethyl)cyclohexane is CCCS(=O)(=O)CCC1CCCC(Cl)C1.
What is the InChIKey of 1-chloro-3-(2-propylsulfonylethyl)cyclohexane?
The InChIKey is BYDQXISCQMOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-2-7-15(13,14)8-6-10-4-3-5-11(12)9-10/h10-11H,2-9H2,1H3.
What are the key properties of 1-chloro-3-(2-propylsulfonylethyl)cyclohexane?
1-chloro-3-(2-propylsulfonylethyl)cyclohexane has a molecular weight of 252.81 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-propylsulfonylethyl)cyclohexane is sourced from PubChem (CID 106732493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).