1-cyclopentyl-2-(thiolan-2-yl)ethanone

C11H18OS — CID 18547429

IUPAC1-cyclopentyl-2-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCCS1)C1CCCC1
InChIInChI=1S/C11H18OS/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h9-10H,1-8H2
InChIKeyKEEMYGJIDLECJN-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.03
Rot. Bonds3

About 1-cyclopentyl-2-(thiolan-2-yl)ethanone

1-cyclopentyl-2-(thiolan-2-yl)ethanone (PubChem CID 18547429) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(thiolan-2-yl)ethanone
PubChem CID18547429
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name1-cyclopentyl-2-(thiolan-2-yl)ethanone
SMILESO=C(CC1CCCS1)C1CCCC1
InChIInChI=1S/C11H18OS/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h9-10H,1-8H2
InChIKeyKEEMYGJIDLECJN-UHFFFAOYSA-N
XLogP3.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(thiolan-2-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(thiolan-2-yl)ethanone (CID 18547429) is 1-cyclopentyl-2-(thiolan-2-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(thiolan-2-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(thiolan-2-yl)ethanone is O=C(CC1CCCS1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(thiolan-2-yl)ethanone?
The InChIKey is KEEMYGJIDLECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c12-11(9-4-1-2-5-9)8-10-6-3-7-13-10/h9-10H,1-8H2.
What are the key properties of 1-cyclopentyl-2-(thiolan-2-yl)ethanone?
1-cyclopentyl-2-(thiolan-2-yl)ethanone has a molecular weight of 198.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(thiolan-2-yl)ethanone is sourced from PubChem (CID 18547429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).