3-(2-methylsulfonylethyl)cyclopentan-1-ol

C8H16O3S — CID 64513199

IUPAC3-(2-methylsulfonylethyl)cyclopentan-1-ol
SMILESCS(=O)(=O)CCC1CCC(O)C1
InChIInChI=1S/C8H16O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7-9H,2-6H2,1H3
InChIKeyRNAGOSCGTWPNFX-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.58
Rot. Bonds3

About 3-(2-methylsulfonylethyl)cyclopentan-1-ol

3-(2-methylsulfonylethyl)cyclopentan-1-ol (PubChem CID 64513199) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 3-(2-methylsulfonylethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(2-methylsulfonylethyl)cyclopentan-1-ol
PubChem CID64513199
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name3-(2-methylsulfonylethyl)cyclopentan-1-ol
SMILESCS(=O)(=O)CCC1CCC(O)C1
InChIInChI=1S/C8H16O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7-9H,2-6H2,1H3
InChIKeyRNAGOSCGTWPNFX-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-tert-butylsulfonylethyl)cyclopentan-1-ol
CID 106732427
1-chloro-3-(2-methylsulfonylethyl)cycloheptane
CID 64507071
1-(2-methylpropyl)-4-(2-methylsulfonylethyl)cyclohexane
CID 175274886
3-[2-(dimethylamino)ethyl]cyclopentan-1-ol
CID 130149238
N-[2-[(3R)-3-hydroxycyclopentyl]ethyl]acetamide
CID 163743916
3-tridecylcyclopentan-1-ol
CID 67606099
trans-(1R,3R)-3-(hydroxymethyl)cyclopentan-1-ol
CID 45098984
3-(2-methylsulfonylethyl)cyclopentan-1-one
CID 64521718
4-(2-methylsulfonylethyl)piperidine;4-(methylsulfonylmethyl)piperidine
CID 158767557
trans-(1S,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614402
cis-(1R,3S)-3-(aminomethyl)cyclopentan-1-ol
CID 42614397
cis-(1S,3R)-3-(trimethylsilylmethyl)cyclopentan-1-ol
CID 102573022

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylsulfonylethyl)cyclopentan-1-ol?
The IUPAC name of 3-(2-methylsulfonylethyl)cyclopentan-1-ol (CID 64513199) is 3-(2-methylsulfonylethyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(2-methylsulfonylethyl)cyclopentan-1-ol?
The canonical SMILES for 3-(2-methylsulfonylethyl)cyclopentan-1-ol is CS(=O)(=O)CCC1CCC(O)C1.
What is the InChIKey of 3-(2-methylsulfonylethyl)cyclopentan-1-ol?
The InChIKey is RNAGOSCGTWPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-12(10,11)5-4-7-2-3-8(9)6-7/h7-9H,2-6H2,1H3.
What are the key properties of 3-(2-methylsulfonylethyl)cyclopentan-1-ol?
3-(2-methylsulfonylethyl)cyclopentan-1-ol has a molecular weight of 192.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylsulfonylethyl)cyclopentan-1-ol is sourced from PubChem (CID 64513199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).