1-cyclopentyl-2-methylsulfonylethanol

C8H16O3S — CID 115601024

IUPAC1-cyclopentyl-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1CCCC1
InChIInChI=1S/C8H16O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h7-9H,2-6H2,1H3
InChIKeyPWVUIAZZQJTSCF-UHFFFAOYSA-N
MW192.28 g/mol
LogP0.58
Rot. Bonds3

About 1-cyclopentyl-2-methylsulfonylethanol

1-cyclopentyl-2-methylsulfonylethanol (PubChem CID 115601024) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-cyclopentyl-2-methylsulfonylethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-methylsulfonylethanol
PubChem CID115601024
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name1-cyclopentyl-2-methylsulfonylethanol
SMILESCS(=O)(=O)CC(O)C1CCCC1
InChIInChI=1S/C8H16O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h7-9H,2-6H2,1H3
InChIKeyPWVUIAZZQJTSCF-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

4-(1,1-Dioxothiolan-3-yl)-3-fluorobutan-2-ol
CID 105464112
1-(1,1-Dioxothian-3-yl)-1-fluoropropan-2-ol
CID 105464114
4-(1,1-Dioxothian-4-yl)-3-fluorobutan-2-ol
CID 105482104
4-(1,1-Dioxothiolan-3-yl)-3,3-difluorobutan-2-ol
CID 105485478
1-(3,3-Difluorocyclopentyl)-4-ethylsulfonylbutan-1-ol
CID 114215860
1-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 20044168
6-Methyl-1-(3-methylbutylsulfonyl)heptan-3-ol
CID 53719418
4-Cyclohexyl-1-propan-2-ylsulfonylbutan-2-ol
CID 57081542
6-(2-Ethylbutylsulfonyl)hexan-1-ol
CID 58277250
Cyclohexyl(methylsulfonyl)methanol
CID 67465606
2-(Methylsulfonylmethyl)cyclopentan-1-ol
CID 68359714
6-Methyl-5-(propan-2-ylsulfonylmethyl)heptan-3-ol
CID 88131617

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methylsulfonylethanol?
The IUPAC name of 1-cyclopentyl-2-methylsulfonylethanol (CID 115601024) is 1-cyclopentyl-2-methylsulfonylethanol.
What is the SMILES notation for 1-cyclopentyl-2-methylsulfonylethanol?
The canonical SMILES for 1-cyclopentyl-2-methylsulfonylethanol is CS(=O)(=O)CC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methylsulfonylethanol?
The InChIKey is PWVUIAZZQJTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-12(10,11)6-8(9)7-4-2-3-5-7/h7-9H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-methylsulfonylethanol?
1-cyclopentyl-2-methylsulfonylethanol 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 1-cyclopentyl-2-methylsulfonylethanol is sourced from PubChem (CID 115601024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).