(1-ethylcyclopentyl)-thiophen-3-ylmethanone

C12H16OS — CID 114975197

IUPAC(1-ethylcyclopentyl)-thiophen-3-ylmethanone
SMILESCCC1(C(=O)c2ccsc2)CCCC1
InChIInChI=1S/C12H16OS/c1-2-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYDMAMCMCRUYGQJ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.90
Rot. Bonds3

About (1-ethylcyclopentyl)-thiophen-3-ylmethanone

(1-ethylcyclopentyl)-thiophen-3-ylmethanone (PubChem CID 114975197) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is (1-ethylcyclopentyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-ethylcyclopentyl)-thiophen-3-ylmethanone
PubChem CID114975197
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name(1-ethylcyclopentyl)-thiophen-3-ylmethanone
SMILESCCC1(C(=O)c2ccsc2)CCCC1
InChIInChI=1S/C12H16OS/c1-2-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3
InChIKeyYDMAMCMCRUYGQJ-UHFFFAOYSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-thiophen-3-ylmethanone
CID 116598388
[4-(3,3-dimethylbutyl)piperidin-4-yl]-thiophen-3-ylmethanone
CID 67232691
(1-piperidin-1-ylcyclopentyl)-thiophen-3-ylmethanone
CID 79057980
(1-phenylcyclohexyl)-thiophen-3-ylmethanone
CID 65099357
1-(3-ethylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116568659
2-(1-aminocyclopentyl)-1-thiophen-3-ylethanone
CID 116578647
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
CID 114300617
1-(3-ethylpyrrolidin-3-yl)-2-thiophen-3-ylethanone
CID 116570374
2-(1-methoxycyclobutyl)-1-thiophen-3-ylethanone
CID 103558841
(2,6-dimethoxyphenyl)-(1-ethylcyclopentyl)methanone
CID 115813399
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782

Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl)-thiophen-3-ylmethanone?
The IUPAC name of (1-ethylcyclopentyl)-thiophen-3-ylmethanone (CID 114975197) is (1-ethylcyclopentyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-ethylcyclopentyl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-ethylcyclopentyl)-thiophen-3-ylmethanone is CCC1(C(=O)c2ccsc2)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl)-thiophen-3-ylmethanone?
The InChIKey is YDMAMCMCRUYGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-12(6-3-4-7-12)11(13)10-5-8-14-9-10/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of (1-ethylcyclopentyl)-thiophen-3-ylmethanone?
(1-ethylcyclopentyl)-thiophen-3-ylmethanone has a molecular weight of 208.33 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 114975197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).