ethylsulfinylcyclopentane

C7H14OS — CID 20828176

IUPACethylsulfinylcyclopentane
SMILESCCS(=O)C1CCCC1
InChIInChI=1S/C7H14OS/c1-2-9(8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyXPSWRYWOASPFBU-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.70
Rot. Bonds2

About ethylsulfinylcyclopentane

ethylsulfinylcyclopentane (PubChem CID 20828176) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is ethylsulfinylcyclopentane.

Molecular Properties

Compound Nameethylsulfinylcyclopentane
PubChem CID20828176
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Nameethylsulfinylcyclopentane
SMILESCCS(=O)C1CCCC1
InChIInChI=1S/C7H14OS/c1-2-9(8)7-5-3-4-6-7/h7H,2-6H2,1H3
InChIKeyXPSWRYWOASPFBU-UHFFFAOYSA-N
XLogP1.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethylsulfinylcyclopentane?
The IUPAC name of ethylsulfinylcyclopentane (CID 20828176) is ethylsulfinylcyclopentane.
What is the SMILES notation for ethylsulfinylcyclopentane?
The canonical SMILES for ethylsulfinylcyclopentane is CCS(=O)C1CCCC1.
What is the InChIKey of ethylsulfinylcyclopentane?
The InChIKey is XPSWRYWOASPFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-2-9(8)7-5-3-4-6-7/h7H,2-6H2,1H3.
What are the key properties of ethylsulfinylcyclopentane?
ethylsulfinylcyclopentane has a molecular weight of 146.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfinylcyclopentane is sourced from PubChem (CID 20828176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).