1-cyclopentyl-4-methylsulfonylbutan-1-ol

C10H20O3S — CID 63192124

IUPAC1-cyclopentyl-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CCCC1
InChIInChI=1S/C10H20O3S/c1-14(12,13)8-4-7-10(11)9-5-2-3-6-9/h9-11H,2-8H2,1H3
InChIKeyXEDZOUDZHKJGPX-UHFFFAOYSA-N
MW220.33 g/mol
LogP1.36
Rot. Bonds5

About 1-cyclopentyl-4-methylsulfonylbutan-1-ol

1-cyclopentyl-4-methylsulfonylbutan-1-ol (PubChem CID 63192124) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-cyclopentyl-4-methylsulfonylbutan-1-ol
PubChem CID63192124
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name1-cyclopentyl-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CCCC(O)C1CCCC1
InChIInChI=1S/C10H20O3S/c1-14(12,13)8-4-7-10(11)9-5-2-3-6-9/h9-11H,2-8H2,1H3
InChIKeyXEDZOUDZHKJGPX-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-cyclopentyl-4-methylsulfonylbutan-1-ol (CID 63192124) is 1-cyclopentyl-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-cyclopentyl-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-cyclopentyl-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CCCC(O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-methylsulfonylbutan-1-ol?
The InChIKey is XEDZOUDZHKJGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3S/c1-14(12,13)8-4-7-10(11)9-5-2-3-6-9/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclopentyl-4-methylsulfonylbutan-1-ol?
1-cyclopentyl-4-methylsulfonylbutan-1-ol has a molecular weight of 220.33 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 63192124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).