4-cyclopentyl-1-thiophen-3-ylbutan-2-one

C13H18OS — CID 61055455

IUPAC4-cyclopentyl-1-thiophen-3-ylbutan-2-one
SMILESO=C(CCC1CCCC1)Cc1ccsc1
InChIInChI=1S/C13H18OS/c14-13(9-12-7-8-15-10-12)6-5-11-3-1-2-4-11/h7-8,10-11H,1-6,9H2
InChIKeyTZERYTYCJXICGE-UHFFFAOYSA-N
MW222.35 g/mol
LogP3.83
Rot. Bonds5

About 4-cyclopentyl-1-thiophen-3-ylbutan-2-one

4-cyclopentyl-1-thiophen-3-ylbutan-2-one (PubChem CID 61055455) has the molecular formula C13H18OS and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-cyclopentyl-1-thiophen-3-ylbutan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-1-thiophen-3-ylbutan-2-one
PubChem CID61055455
Molecular FormulaC13H18OS
Molecular Weight222.35 g/mol
Exact Mass222.11
IUPAC Name4-cyclopentyl-1-thiophen-3-ylbutan-2-one
SMILESO=C(CCC1CCCC1)Cc1ccsc1
InChIInChI=1S/C13H18OS/c14-13(9-12-7-8-15-10-12)6-5-11-3-1-2-4-11/h7-8,10-11H,1-6,9H2
InChIKeyTZERYTYCJXICGE-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-cyclopentyl-1-thiophen-3-ylbutan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperidin-4-yl-3-thiophen-3-ylpropan-2-one
CID 116559976
1-(azetidin-3-yl)-3-thiophen-3-ylpropan-2-one
CID 116582371
3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
1-thiophen-3-ylhex-5-en-2-one
CID 105104599
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
2-cyclopentyl-N-(thiophen-3-ylmethyl)ethanamine
CID 60732816
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 121200714
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
dicyclohexylazanium;2-thiophen-3-ylacetate
CID 139058148
1-cyclohexyl-5-thiophen-3-ylpentan-3-ol
CID 115798364
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
3-(2-cyclopropylethyl)thiophene
CID 159324839

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-thiophen-3-ylbutan-2-one?
The IUPAC name of 4-cyclopentyl-1-thiophen-3-ylbutan-2-one (CID 61055455) is 4-cyclopentyl-1-thiophen-3-ylbutan-2-one.
What is the SMILES notation for 4-cyclopentyl-1-thiophen-3-ylbutan-2-one?
The canonical SMILES for 4-cyclopentyl-1-thiophen-3-ylbutan-2-one is O=C(CCC1CCCC1)Cc1ccsc1.
What is the InChIKey of 4-cyclopentyl-1-thiophen-3-ylbutan-2-one?
The InChIKey is TZERYTYCJXICGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18OS/c14-13(9-12-7-8-15-10-12)6-5-11-3-1-2-4-11/h7-8,10-11H,1-6,9H2.
What are the key properties of 4-cyclopentyl-1-thiophen-3-ylbutan-2-one?
4-cyclopentyl-1-thiophen-3-ylbutan-2-one has a molecular weight of 222.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-thiophen-3-ylbutan-2-one is sourced from PubChem (CID 61055455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).