1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane

C11H21ClO2S — CID 106729081

IUPAC1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
SMILESCC(C)S(=O)(=O)CCC1CCCCC1Cl
InChIInChI=1S/C11H21ClO2S/c1-9(2)15(13,14)8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyUKTBHPDULLLMDM-UHFFFAOYSA-N
MW252.81 g/mol
LogP3.00
Rot. Bonds4

About 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane

1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane (PubChem CID 106729081) has the molecular formula C11H21ClO2S and a molecular weight of 252.81 g/mol. Its IUPAC name is 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane.

Molecular Properties

Compound Name1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
PubChem CID106729081
Molecular FormulaC11H21ClO2S
Molecular Weight252.81 g/mol
Exact Mass252.10
IUPAC Name1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane
SMILESCC(C)S(=O)(=O)CCC1CCCCC1Cl
InChIInChI=1S/C11H21ClO2S/c1-9(2)15(13,14)8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyUKTBHPDULLLMDM-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

4-(2-Chloroethylsulfonyl)-4-methyldecane
CID 134517578
1-(4-Chlorocyclohexyl)sulfonyl-4-methylcyclohexane
CID 140418785
1-(1-Chloroethyl)-4-cyclohexylsulfinylcyclohexane
CID 140437800
1-(1-Chloroethyl)-4-cyclohexylsulfonylcyclohexane
CID 140437812
2-Chloro-1-methyl-4-methylsulfonylcyclohexane
CID 141885013
2-Chloro-4-methyl-1-methylsulfonylcyclohexane
CID 145728576
1,3-Dichloro-2-(propan-2-ylsulfinylmethyl)cyclohexane
CID 145832911
5-Chloro-2,4-dimethylthiane 1,1-dioxide
CID 13280514
3-(2-Chloro-5-propan-2-ylcyclohexyl)thiolane 1,1-dioxide
CID 55107252
3-(1-Chloro-2-ethylbutyl)thiolane 1,1-dioxide
CID 61632776
3-[Chloro(cyclohexyl)methyl]thiolane 1,1-dioxide
CID 61632821
3-(1-Chloroheptyl)thiolane 1,1-dioxide
CID 61632822

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane?
The IUPAC name of 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane (CID 106729081) is 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane.
What is the SMILES notation for 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane?
The canonical SMILES for 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane is CC(C)S(=O)(=O)CCC1CCCCC1Cl.
What is the InChIKey of 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane?
The InChIKey is UKTBHPDULLLMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2S/c1-9(2)15(13,14)8-7-10-5-3-4-6-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane?
1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane has a molecular weight of 252.81 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-propan-2-ylsulfonylethyl)cyclohexane is sourced from PubChem (CID 106729081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).