2-cyclopentylsulfanyl-1-thiophen-2-ylethanone

C11H14OS2 — CID 2341406

IUPAC2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSC1CCCC1)c1cccs1
InChIInChI=1S/C11H14OS2/c12-10(11-6-3-7-13-11)8-14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyDCCPIJUVVGTYOR-UHFFFAOYSA-N
MW226.37 g/mol
LogP3.61
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone

2-cyclopentylsulfanyl-1-thiophen-2-ylethanone (PubChem CID 2341406) has the molecular formula C11H14OS2 and a molecular weight of 226.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
PubChem CID2341406
Molecular FormulaC11H14OS2
Molecular Weight226.37 g/mol
Exact Mass226.05
IUPAC Name2-cyclopentylsulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSC1CCCC1)c1cccs1
InChIInChI=1S/C11H14OS2/c12-10(11-6-3-7-13-11)8-14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2
InChIKeyDCCPIJUVVGTYOR-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
CID 134847075
CID 134847075
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-thiophen-2-ylethanone
CID 43228957
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399
1-(2-oxo-2-thiophen-2-ylethyl)piperidine-2-carboxamide
CID 60680965
2-(azetidin-3-yl)-1-thiophen-2-ylethanone
CID 116582435
tert-butyl 2-(2-oxo-2-thiophen-2-ylethyl)azepane-1-carboxylate
CID 102567607
2-[(2R)-1-benzylazepan-2-yl]-1-thiophen-2-ylethanone
CID 99978766
2-cyclopentylsulfanyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610601
4-(oxetan-3-ylsulfanyl)-1-thiophen-2-ylbutan-1-one
CID 79325972

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone (CID 2341406) is 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone is O=C(CSC1CCCC1)c1cccs1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone?
The InChIKey is DCCPIJUVVGTYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS2/c12-10(11-6-3-7-13-11)8-14-9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2.
What are the key properties of 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone?
2-cyclopentylsulfanyl-1-thiophen-2-ylethanone has a molecular weight of 226.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 2341406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).