3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol

C14H20O3S — CID 106585470

IUPAC3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)C2CCC(O)C2C)c(C)c1
InChIInChI=1S/C14H20O3S/c1-9-4-6-13(10(2)8-9)18(16,17)14-7-5-12(15)11(14)3/h4,6,8,11-12,14-15H,5,7H2,1-3H3
InChIKeyAAAFUVBTJKLAHV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.24
Rot. Bonds2

About 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol

3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol (PubChem CID 106585470) has the molecular formula C14H20O3S and a molecular weight of 268.38 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol
PubChem CID106585470
Molecular FormulaC14H20O3S
Molecular Weight268.38 g/mol
Exact Mass268.11
IUPAC Name3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)C2CCC(O)C2C)c(C)c1
InChIInChI=1S/C14H20O3S/c1-9-4-6-13(10(2)8-9)18(16,17)14-7-5-12(15)11(14)3/h4,6,8,11-12,14-15H,5,7H2,1-3H3
InChIKeyAAAFUVBTJKLAHV-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethylphenyl)sulfonyl-N,2-dimethylcyclopentan-1-amine
CID 64904691
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-ol
CID 106585473
2-(2,4-dimethylphenyl)sulfonylcyclohexan-1-amine
CID 64639437
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
2-(2,4-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
CID 64640842
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
1-(2,4-dimethylphenyl)sulfonyl-2-methylcyclobutane-1-carboxylic acid
CID 66431972
2-(2,5-dimethylphenyl)sulfonyl-4,4-dimethylcyclohexan-1-amine
CID 64640641
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752881
cyclohexyl 2,4-dimethylbenzenesulfonate
CID 139894293
N-cyclododecyl-2,4-dimethylbenzenesulfonamide
CID 19681945
N-(1-cyclopropylethyl)-2,4-dimethylbenzenesulfonamide
CID 84843581

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol (CID 106585470) is 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol is Cc1ccc(S(=O)(=O)C2CCC(O)C2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol?
The InChIKey is AAAFUVBTJKLAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3S/c1-9-4-6-13(10(2)8-9)18(16,17)14-7-5-12(15)11(14)3/h4,6,8,11-12,14-15H,5,7H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol?
3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)sulfonyl-2-methylcyclopentan-1-ol is sourced from PubChem (CID 106585470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).