1-cyclopentyl-2-methylsulfanylethanone

C8H14OS — CID 62692757

IUPAC1-cyclopentyl-2-methylsulfanylethanone
SMILESCSCC(=O)C1CCCC1
InChIInChI=1S/C8H14OS/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyKOKHDUQVTSCQMN-UHFFFAOYSA-N
MW158.27 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclopentyl-2-methylsulfanylethanone

1-cyclopentyl-2-methylsulfanylethanone (PubChem CID 62692757) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 1-cyclopentyl-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-methylsulfanylethanone
PubChem CID62692757
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name1-cyclopentyl-2-methylsulfanylethanone
SMILESCSCC(=O)C1CCCC1
InChIInChI=1S/C8H14OS/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyKOKHDUQVTSCQMN-UHFFFAOYSA-N
XLogP2.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-methylsulfanylethanone?
The IUPAC name of 1-cyclopentyl-2-methylsulfanylethanone (CID 62692757) is 1-cyclopentyl-2-methylsulfanylethanone.
What is the SMILES notation for 1-cyclopentyl-2-methylsulfanylethanone?
The canonical SMILES for 1-cyclopentyl-2-methylsulfanylethanone is CSCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methylsulfanylethanone?
The InChIKey is KOKHDUQVTSCQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-methylsulfanylethanone?
1-cyclopentyl-2-methylsulfanylethanone has a molecular weight of 158.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methylsulfanylethanone is sourced from PubChem (CID 62692757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).