3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol

C10H20O3S — CID 106732469

IUPAC3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
SMILESCCS(=O)(=O)CCC1CCC(O)C1C
InChIInChI=1S/C10H20O3S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-11H,3-7H2,1-2H3
InChIKeyYLOXSVCJGFEWRS-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.22
Rot. Bonds4

About 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol

3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol (PubChem CID 106732469) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
PubChem CID106732469
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol
SMILESCCS(=O)(=O)CCC1CCC(O)C1C
InChIInChI=1S/C10H20O3S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-11H,3-7H2,1-2H3
InChIKeyYLOXSVCJGFEWRS-UHFFFAOYSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-Difluorocyclopentyl)-4-ethylsulfonylbutan-1-ol
CID 114215860
2-(Methylsulfonylmethyl)cyclopentan-1-ol
CID 68359714
6-Methyl-5-(propan-2-ylsulfonylmethyl)heptan-3-ol
CID 88131617
1-[5-(2-Methylpentyl)-1,1-dioxothiolan-2-yl]ethanol
CID 101161285
(3R,4S)-4-octyl-1,1-dioxothiolan-3-ol
CID 126657306
(3R)-1,1-dioxo-4-undecan-6-ylthiolan-3-ol
CID 126657349
(3aS,6aR)-5-methylsulfonyl-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 141526298
(1S)-1-cyclopentyl-2-methylsulfonylethanol
CID 160332200
(1S)-1-cyclopentyl-2-methylsulfonylethanol;sulfane
CID 160569820
(1S)-2-tert-butylsulfonyl-1-cyclopentylethanol
CID 164968178
(1R)-1-cyclopentyl-2-propan-2-ylsulfonylethanol
CID 167557282
(1R)-2-tert-butylsulfonyl-1-cyclopentylethanol
CID 167597329

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol (CID 106732469) is 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol is CCS(=O)(=O)CCC1CCC(O)C1C.
What is the InChIKey of 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol?
The InChIKey is YLOXSVCJGFEWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-3-14(12,13)7-6-9-4-5-10(11)8(9)2/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol?
3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylsulfonylethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 106732469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).