2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol

C15H22O3S — CID 106585441

IUPAC2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)CCC2CCCC2O)cc1C
InChIInChI=1S/C15H22O3S/c1-11-6-7-14(10-12(11)2)19(17,18)9-8-13-4-3-5-15(13)16/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3
InChIKeyORVCXDDZKSQMIQ-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.63
Rot. Bonds4

About 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol

2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol (PubChem CID 106585441) has the molecular formula C15H22O3S and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol
PubChem CID106585441
Molecular FormulaC15H22O3S
Molecular Weight282.40 g/mol
Exact Mass282.13
IUPAC Name2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol
SMILESCc1ccc(S(=O)(=O)CCC2CCCC2O)cc1C
InChIInChI=1S/C15H22O3S/c1-11-6-7-14(10-12(11)2)19(17,18)9-8-13-4-3-5-15(13)16/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3
InChIKeyORVCXDDZKSQMIQ-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024
2-[2-(4-chlorophenyl)sulfonylethyl]-N-propylcyclopentan-1-amine
CID 79587194
2-[2-[2-(trifluoromethyl)phenyl]sulfonylethyl]cyclopentan-1-ol
CID 106585385
6-(3,4-dimethylphenyl)sulfonylhexan-2-one
CID 64642717
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide
CID 166424371
3-(dimethylamino)-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 97244870
2-[2-(4-bromophenyl)sulfonylethyl]-N-ethylcyclopentan-1-amine
CID 79581114
1-cyclopentyl-2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 104753847
2-[2-(3-chloro-4-fluorophenyl)sulfonylethyl]-N-methylcyclopentan-1-amine
CID 79581885
4-(4-methoxybutylsulfonyl)-1,2-dimethylbenzene
CID 56793096
2-[2-(2-methylphenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol (CID 106585441) is 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol is Cc1ccc(S(=O)(=O)CCC2CCCC2O)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol?
The InChIKey is ORVCXDDZKSQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3S/c1-11-6-7-14(10-12(11)2)19(17,18)9-8-13-4-3-5-15(13)16/h6-7,10,13,15-16H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol?
2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol has a molecular weight of 282.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol is sourced from PubChem (CID 106585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).